2-Benzyl-1,3-thiazole-4-carboxylicacid
2-Benzyl-1,3-thiazole-4-carboxylicacid structure
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Common Name | 2-Benzyl-1,3-thiazole-4-carboxylicacid | ||
|---|---|---|---|---|
| CAS Number | 36916-44-6 | Molecular Weight | 219.26000 | |
| Density | 1.336g/cm3 | Boiling Point | 423.3ºC at 760mmHg | |
| Molecular Formula | C11H9NO2S | Melting Point | N/A | |
| MSDS | USA | Flash Point | 209.8ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-benzyl-1,3-thiazole-4-carboxylic acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.336g/cm3 |
|---|---|
| Boiling Point | 423.3ºC at 760mmHg |
| Molecular Formula | C11H9NO2S |
| Molecular Weight | 219.26000 |
| Flash Point | 209.8ºC |
| Exact Mass | 219.03500 |
| PSA | 78.43000 |
| LogP | 2.43210 |
| Index of Refraction | 1.638 |
| InChIKey | OUVVHURAIHESSK-UHFFFAOYSA-N |
| SMILES | O=C(O)c1csc(Cc2ccccc2)n1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi: Irritant; |
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| HS Code | 2934100090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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2-Benzyl-1,3-th... CAS#:36916-44-6 |
| Literature: Larsen, Scott D.; Stachew, Carl F.; Clare, Paula M.; Cubbage, Jerry W.; Leach, Karen L. Bioorganic and Medicinal Chemistry Letters, 2003 , vol. 13, # 20 p. 3491 - 3495 |
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2-Benzyl-1,3-th... CAS#:36916-44-6 |
| Literature: Larsen, Scott D.; Stachew, Carl F.; Clare, Paula M.; Cubbage, Jerry W.; Leach, Karen L. Bioorganic and Medicinal Chemistry Letters, 2003 , vol. 13, # 20 p. 3491 - 3495 |
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2-Benzyl-1,3-th... CAS#:36916-44-6 |
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Literature: Brown Chem. Penicillin, |
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2-Benzyl-1,3-th... CAS#:36916-44-6 |
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Literature: Mozingo; Folkers Chem. Penicillin, |
![1-[(4-tert-butylphenyl)methyl]-3-(4-ethylphenyl)-1-(1-phenylethyl)urea structure](https://image.chemsrc.com/caspic/395/5873-91-6.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
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| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2934100090 |
|---|---|
| Summary | 2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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Name: Inhibition of recombinant Pseudomonas aeruginosa MBL IMP-1 using nitrocefin as substr...
Source: ChEMBL
Target: Beta-lactamase
External Id: CHEMBL2090106
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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Name: Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate preincubated ...
Source: ChEMBL
Target: Beta-lactamase
External Id: CHEMBL2090107
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-Benzyl-4-carboxythiazole |
| 2-Benzyl-thiazole-4-carboxylic acid |
| benzylthiazolecarboxylicacid |
| 2-Benzyl-4-carboxythiazol |
| 2-Benzyl-4-thiazolecarboxylic acid |
| 2-Benzyl-thiazol-4-carbonsaeure |
| 2-Benzyl-1,3-Thiazole-4-Carboxylicacid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of 2-benzyl-1,3-thiazole-4-carboxylic acid? |
| A: Molecular weight of 2-benzyl-1,3-thiazole-4-carboxylic acid is 219.26000. |
| Q: What is the InChIKey of 2-benzyl-1,3-thiazole-4-carboxylic acid? |
| A: InChIKey of 2-benzyl-1,3-thiazole-4-carboxylic acid is OUVVHURAIHESSK-UHFFFAOYSA-N. |
| Q: What is the LogP of 2-benzyl-1,3-thiazole-4-carboxylic acid? |
| A: LogP of 2-benzyl-1,3-thiazole-4-carboxylic acid is 2.43210. |
| Q: What are the upstream materials of 2-benzyl-1,3-thiazole-4-carboxylic acid? |
| A: Related upstream materials(CAS) of 2-benzyl-1,3-thiazole-4-carboxylic acid: 83553-49-5;645-54-5;51579-13-6;5873-91-6;52-67-5;872808-41-8. |
| Q: What is the polar surface area (PSA) of 2-benzyl-1,3-thiazole-4-carboxylic acid? |
| A: Polar surface area (PSA) of 2-benzyl-1,3-thiazole-4-carboxylic acid is 78.43000. |
| Q: What is the boiling point of 2-benzyl-1,3-thiazole-4-carboxylic acid? |
| A: Boiling point of 2-benzyl-1,3-thiazole-4-carboxylic acid is 423.3ºC at 760mmHg. |
| Q: What is the SMILES notation of 2-benzyl-1,3-thiazole-4-carboxylic acid? |
| A: SMILES notation of 2-benzyl-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(Cc2ccccc2)n1. |
| Q: What is the molecular formula of 2-benzyl-1,3-thiazole-4-carboxylic acid? |
| A: Molecular formula of 2-benzyl-1,3-thiazole-4-carboxylic acid is C11H9NO2S. |
| Q: What is the English name of 2-benzyl-1,3-thiazole-4-carboxylic acid? |
| A: The English name of 2-benzyl-1,3-thiazole-4-carboxylic acid is 2-benzyl-1,3-thiazole-4-carboxylic acid. |
| Q: What is the CAS number of 2-benzyl-1,3-thiazole-4-carboxylic acid? |
| A: CAS number of 2-benzyl-1,3-thiazole-4-carboxylic acid is 36916-44-6. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |