5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-amine
5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-amine structure
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Common Name | 5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-amine | ||
|---|---|---|---|---|
| CAS Number | 235108-64-2 | Molecular Weight | 249.33200 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C12H15N3OS | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-amine |
|---|---|
| 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.
| Molecular Formula | C12H15N3OS |
|---|---|
| Molecular Weight | 249.33200 |
| Exact Mass | 249.09400 |
| PSA | 90.00000 |
| LogP | 2.89630 |
| InChIKey | OACLVJZGKWIEAB-UHFFFAOYSA-N |
| SMILES | CCCCOc1ccc(-c2nnc(N)s2)cc1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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5-(4-butoxyphen... CAS#:235108-64-2 |
| Literature: Xu; Lu; Tai Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, 2000 , vol. 350, p. 151 - 159 |
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5-(4-butoxyphen... CAS#:235108-64-2 |
| Literature: Xu; Lu; Tai Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, 2000 , vol. 350, p. 151 - 159 |
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~%
5-(4-butoxyphen... CAS#:235108-64-2 |
| Literature: Xu; Lu; Tai Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, 2000 , vol. 350, p. 151 - 159 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
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| DownStream 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: 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: Dicer-mediated maturation of pre-microRNA
Source: Center for Chemical Genomics, University of Michigan
Target: N/A
External Id: TargetID_659_CEMA
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| hms2553i07 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of 5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-amine? |
| A: The English name of 5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-amine is 5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-amine. |
| Q: What is the polar surface area (PSA) of 5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-amine? |
| A: Polar surface area (PSA) of 5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-amine is 90.00000. |
| Q: What is the LogP of 5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-amine? |
| A: LogP of 5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-amine is 2.89630. |
| Q: What is the InChIKey of 5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-amine? |
| A: InChIKey of 5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-amine is OACLVJZGKWIEAB-UHFFFAOYSA-N. |
| Q: What is the CAS number of 5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-amine? |
| A: CAS number of 5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-amine is 235108-64-2. |
| Q: What are the upstream materials of 5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-amine? |
| A: Related upstream materials(CAS) of 5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-amine: 100318-30-7;123-08-0;5736-88-9. |
| Q: What is the molecular formula of 5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-amine? |
| A: Molecular formula of 5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-amine is C12H15N3OS. |
| Q: What is the SMILES notation of 5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-amine? |
| A: SMILES notation of 5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-amine is CCCCOc1ccc(-c2nnc(N)s2)cc1. |
| Q: What is the Chinese name of 235108-64-2? |
| A: Chinese name of 235108-64-2 is 235108-64-2. |
| Q: What is the molecular weight of 5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-amine? |
| A: Molecular weight of 5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-amine is 249.33200. |