AG001VEX

160844-75-7 | 5-Thiazolecarboxylic acid, 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-, ethyl ester

AG001VEX

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CAS Number	160844-75-7
Catalog Number	AG001VEX(AGN-PC-0MV42Z)
Chemical Name	5-Thiazolecarboxylic acid, 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-, ethyl ester
EC Number	927-913-5
IUPAC Name	ethyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate
InChI	InChI=1S/C18H20N2O3S/c1-5-22-18(21)16-12(4)20-17(24-16)13-6-7-15(14(8-13)9-19)23-10-11(2)3/h6-8,11H,5,10H2,1-4H3
InChI Key	OGAZOYHQFBSRMC-UHFFFAOYSA-N
MDL Number	MFCD09833701
Molecular Formula	C18H20N2O3S
Molecular Weight	344.4280
SMILES	O=C(C1=C(C)N=C(C2=CC=C(OCC(C)C)C(C#N)=C2)S1)OCC
Synonyms	160844-75-7, Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate, ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate, Ethyl2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate, AK-39088, 5-Thiazolecarboxylic acid, 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-, ethyl ester, Q-103511, C18H20N2O3S, 2-(3-Cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester, OGAZOYHQFBSRMC-UHFFFAOYSA-N, febuxostat impurity 3, SCHEMBL31601, KSC498E4P, CTK3J8247, ACT06266, BCP23118, KS-00000HZ8, ANW-45560, CE-697, MFCD09833701, ZINC22011862, AKOS005145711, AC-5911, AN-6796, QC-6294, RP17954, RTX-012355, Ethyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate, AJ-80491, CJ-17252, DS-13004, AB0005321, AX8162502, DB-037992, AM20090759, FT-0653024, ST24030454, W3489, 844E757, I09-1305, Ethyl 2-(3-Cyano-4-Isobutoxy Phenyl)-4-Methylthiazole-5-Carboxylate, ethyl 2-(3-cyano-4-isobutoxy-phenyl)-4-methyl-thiazole-5-carboxylate, Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5- thiazolecarboxylate, ethyl 2-[3-cyano-4-(2-methyl propoxy)phenyl]-4-methyl-5-thiazolcarboxylate, Ethyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylate, Ethyl-2-(3-Cyano-4-Isobutyloxyphenyl)-4-Methyl-5-Thiazole Carboxylate, 2-(3-Cyano-4-isobutoxy-phenyl)-4-methyl-thiazole-5-carboxylic acid ethyl ester, 2-(3-cyano-4-isobutoxy-phenyl)-4-methylthiazole-5-carboxylic acid ethyl ester, 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester, Febuxostat Ethyl Ester (2-[3-Cyano-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic Acid Ethyl Ester), ACN-031814, CID9884549, CS-O-31552, ethyl2- -4-methylthiazole-5-carboxylate, A3563, EC 927-913-5, 144060-97-9, 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazol-5-carboxylic acid ethyl ester, 5-Thiazolecarboxylic acid, 2-(3-cyano-4-(2-methylpropoxy)phenyl)-4-methyl-, ethyl ester, ETHYL 2-(3-CYANO-4-ISOBUTOXY PHENYL)-4-METHYL THIAZOLE-5 CARBOXYLATE, ETHYL 2-(3-CYANO-4-ISOBUTOXYPHENYL)-4-METHYL-1,3-THIAZOLE-5-CARBO XYLATE,

Complexity	476
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	344.119g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	344.429g/mol
Monoisotopic Mass	344.119g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	100A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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