1-[[5-(1H-indol-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(1, 3-thiazol-2-ylamino)propan-2-ol

Modify Date: 2025-08-21 09:39:58

1-[[5-(1H-indol-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(1, 3-thiazol-2-ylamino)propan-2-ol structure	Common Name	1-[[5-(1H-indol-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(1, 3-thiazol-2-ylamino)propan-2-ol
	CAS Number	86717-13-7	Molecular Weight	418.55900
	Density	1.52g/cm3	Boiling Point	713.8ºC at 760 mmHg
	Molecular Formula	C₁₇H₁₈N₆OS₃	Melting Point	N/A
	MSDS	N/A	Flash Point	385.5ºC

Name	1-[[5-(1H-indol-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(1,3-thiazol-2-ylamino)propan-2-ol

Density	1.52g/cm3
Boiling Point	713.8ºC at 760 mmHg
Molecular Formula	C₁₇H₁₈N₆OS₃
Molecular Weight	418.55900
Flash Point	385.5ºC
Exact Mass	418.07000
PSA	171.74000
LogP	3.88190
Index of Refraction	1.759
InChIKey	ONAXWVKKXWMBAU-UHFFFAOYSA-N
SMILES	OC(CNc1nccs1)CSc1nnc(NCc2c[nH]c3ccccc23)s1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UB6653000

CHEMICAL NAME :: 2-Propanol, 1-((5-((2-indolylmethyl)amino)-2-thiadiazolyl)thio)-3 -(2-thiazolylamino)-

CAS REGISTRY NUMBER :: 86717-13-7

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C17-H18-N6-O-S3

MOLECULAR WEIGHT :: 418.59

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ARPMAS Archiv der Pharmazie (Weinheim, Germany) (VCH Pub., Inc., 303 NW 12th Ave., Deerfield Beach, FL 33441) V.51-261, 1835-1923; V.305- 1972- Volume(issue)/page/year: 316,493,1983

2-Aminothiazole

CAS#:96-50-4

3-((2-Aminometh...

CAS#:86717-02-4

~47%

1-[[5-(1H-indol...

CAS#:86717-13-7

Literature: Tandon; Barthwal; Bhalla; Bhargava Archiv der Pharmazie, 1983 , vol. 316, # 6 p. 493 - 499

Indole

CAS#:120-72-9

1-[[5-(1H-indol...

CAS#:86717-13-7

Literature: Tandon; Barthwal; Bhalla; Bhargava Archiv der Pharmazie, 1983 , vol. 316, # 6 p. 493 - 499

3-((2-Aminometh...

CAS#:86717-01-3

1-[[5-(1H-indol...

CAS#:86717-13-7

Literature: Tandon; Barthwal; Bhalla; Bhargava Archiv der Pharmazie, 1983 , vol. 316, # 6 p. 493 - 499

Precursor 4
CAS#:96-50-4 2-Aminothiazole CAS#:86717-02-4 3-((2-Aminometh... CAS#:120-72-9 Indole CAS#:86717-01-3 3-((2-Aminometh...
DownStream 0

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1-[[5-(1H-indol-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(1, 3-thiazol-2-ylamino)propan-2-ol

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route

Precursor & DownStream

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.