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

Modify Date: 2024-01-31 14:52:13

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

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 structure

2-Aminothiazole

CAS#:96-50-4

3-((2-Aminomethyl)-5-(3-epoxypropylmercapto)-1,3,4-thiadiazolyl)indole structure

3-((2-Aminometh...

CAS#:86717-02-4

~47%

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

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

CAS#:86717-13-7

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

Indole structure

Indole

CAS#:120-72-9

~%

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

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-Aminomethyl)-5-mercapto-1,3,4-thiadiazolyl)indole structure

3-((2-Aminometh...

CAS#:86717-01-3

~%

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

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

Dichloromethane
CAS#:75-09-2

Polyacrylic acid
CAS#:9003-01-4

sodium carbonate
CAS#:497-19-8

Silicon dioxide
CAS#:7631-86-9

Triethanolamine
CAS#:102-71-6

Demeton
CAS#:126-75-0

Water
CAS#:7732-18-5

4-(4-Piperidinyl)morpholine dihydrochloride
CAS#:53617-35-9

Diclofenac sodium
CAS#:15307-79-6

Budesonide
CAS#:51372-29-3