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

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Names

[ CAS No. ]:
86717-13-7

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

Chemical & Physical Properties

[ 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

Toxicological Information

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

Synthetic Route

Precursor & DownStream

Precursor

  • 2-Aminothiazole
  • 3-((2-Aminomethyl)-5-(3-epoxypropylmercapto)-1,3,4-thiadiazolyl)indole
  • Indole
  • 3-((2-Aminomethyl)-5-mercapto-1,3,4-thiadiazolyl)indole

DownStream