2-[[5-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]cyclohexene-1-carboxylic acid

Names

[ Name ]:
2-[[5-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]cyclohexene-1-carboxylic acid

[Synonym ]:
2-((5-(2-Ethoxyphenyl)-1,3,4-thiadiazol-2-yl)amino)-1-cyclohexene-1-carboxylic acid
1-Cyclohexene-1-carboxylic acid,2-((5-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-yl)amino)

Chemical & Physical Properties

[ Density]:
1.356g/cm3

[ Boiling Point ]:
543ºC at 760mmHg

[ Molecular Formula ]:
C₁₇H₁₉N₃O₃S

[ Molecular Weight ]:
345.41600

[ Flash Point ]:
282.2ºC

[ Exact Mass ]:
345.11500

[ PSA ]:
115.81000

[ LogP ]:
3.35030

[ Vapour Pressure ]:
1.26E-12mmHg at 25°C

[ Index of Refraction ]:
1.651

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GW4392500

CHEMICAL NAME :: 1-Cyclohexene-1-carboxylic acid, 2-((5-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-yl)amino)-

CAS REGISTRY NUMBER :: 160893-98-1

LAST UPDATED :: 199603

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C17-H19-N3-O3-S

MOLECULAR WEIGHT :: 345.45

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 500 mg/kg

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

REFERENCE :: PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 49,880,1994

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 250 mg/kg

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

REFERENCE :: PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 49,880,1994

Synthetic Route

Click to get detail synthetic route

Related Compounds

3,5-dimethyl-N-(2-(5-methyl-3-(pyridin-3-yl)-1H-pyrazol-1-yl)ethyl)isoxazole-4-carboxamide
(E)-3-(2,5-difluorophenyl)-N-(2-(5-methyl-3-(pyridin-3-yl)-1H-pyrazol-1-yl)ethyl)acrylamide
2-(2,4-dichlorophenoxy)-N-(2-(5-methyl-3-(pyridin-3-yl)-1H-pyrazol-1-yl)ethyl)propanamide
2-methyl-N-(2-(5-methyl-3-(pyridin-3-yl)-1H-pyrazol-1-yl)ethyl)benzamide
N-(2-(5-methyl-3-(pyridin-3-yl)-1H-pyrazol-1-yl)ethyl)-2-phenoxyacetamide
N-(2-(5-methyl-3-(pyridin-3-yl)-1H-pyrazol-1-yl)ethyl)-2-oxo-2H-chromene-3-carboxamide
2-chloro-N-(2-(5-methyl-3-(pyridin-3-yl)-1H-pyrazol-1-yl)ethyl)benzamide
1-(4-fluorophenyl)-3-(2-(5-methyl-3-(pyridin-3-yl)-1H-pyrazol-1-yl)ethyl)urea
1-(4-ethoxyphenyl)-3-(2-(5-methyl-3-(pyridin-3-yl)-1H-pyrazol-1-yl)ethyl)urea
1-(2-(5-methyl-3-(pyridin-3-yl)-1H-pyrazol-1-yl)ethyl)-3-(thiophen-2-ylmethyl)urea

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