AC1LCXV9

2-[[4-cyano-3-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

Also Known As: Oprea1_058231|NCGC00018808-01|NCGC00018808-02|NCGC00018808-03|AB00131179-10|AG-205/11957654|SR-01000000761-2|A1183/0054743|2-[[4-cyano-3-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide|2,2'-((4-cyanoisothiazole-3,5-diyl)bis(sulfanediyl))bis(N-(4-methylthiazol-2-yl)acetamide)|2,2'-[(4-cyano-1,2-thiazole-3,5-diyl)disulfanediyl]bis[N-(4-methyl-1,3-thiazol-2-yl)acetamide]|2-(4-cyano-3-{[N-(4-methyl(1,3-thiazol-2-yl))carbamoyl]methylthio}isothiazol-5 -ylthio)-N-(4-methyl(1,3-thiazol-2-yl))acetamide|2-[[4-cyano-3-[[2-[(4-methyl-2-thiazolyl)amino]-2-oxoethyl]thio]-5-isothiazolyl]thio]-N-(4-methyl-2-thiazolyl)acetamide|2-[[4-cyano-3-[[2-keto-2-[(4-methylthiazol-2-yl)amino]ethyl]thio]isothiazol-5-yl]thio]-N-(4-methylthiazol-2-yl)acetamide|2-[[4-cyano-3-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)ethanamide|2-{[4-cyano-3-({2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-1,2-thiazol-5-yl]sulfanyl}-N-[(2Z)-4-methyl-1,3-thiazol-2(3H)-ylidene]acetamide|2-{[4-cyano-3-({2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-5-isothiazolyl]sulfanyl}-N-(4-methyl-1,3-thiazol-2-yl)acetamide|2-{[4-CYANO-5-({[(4-METHYL-1,3-THIAZOL-2-YL)CARBAMOYL]METHYL}SULFANYL)-1,2-THIAZOL-3-YL]SULFANYL}-N-(4-METHYL-1,3-THIAZOL-2-YL)ACETAMIDE

Molecular Formula	C16H14N6O2S5
Molecular Weight	481.97818 g/mol
LogP	3.7
Topological Polar Surface Area	256.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	11
Rotatable Bonds	8
Exact Mass	481.97818
Monoisotopic Mass	481.97818
Heavy Atoms	29
Complexity	649.0

Chemical Identifiers

CAS Number	313380-01-7
SMILES	CC1=CSC(=N1)NC(=O)CSC2=C(C(=NS2)SCC(=O)NC3=NC(=CS3)C)C#N
InChIKey	LHPLNHDJOIBQPV-UHFFFAOYSA-N