MLS000052105

ethyl 2-[[2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate

Also Known As: AB00392247-09|F1730-0003|ethyl 2-[[2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate|ethyl 2-[2-({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5-dimethylthiophene-3-carboxylate|ethyl 2-{[({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetyl]amino}-4,5-dimethyl-3-thiophenecarboxylate|ethyl 2-{[({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate|2-[[2-[[5-[(2-amino-4-thiazolyl)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester|2-[[2-[[5-[(2-aminothiazol-4-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester|ethyl 2-(2-((5-((2-aminothiazol-4-yl)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate|ethyl 2-(2-{5-[(2-amino(1,3-thiazol-4-yl))methyl]-4-methyl(1,2,4-triazol-3-ylt hio)}acetylamino)-4,5-dimethylthiophene-3-carboxylate|ethyl 2-[({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-ylthio}methyl)carbonylamino]-4,5-dimethyl-3-thenoate|ethyl 2-[2-[[5-[(2-azanyl-1,3-thiazol-4-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Molecular Formula	C18H22N6O3S3
Molecular Weight	466.09155 g/mol
LogP	3.03044
Topological Polar Surface Area	125.02 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	10
Rotatable Bonds	8
Exact Mass	466.09155
Monoisotopic Mass	466.09155
Heavy Atoms	30
Complexity	1071.5972

Chemical Identifiers

CAS Number	690643-16-4
SMILES	CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=C(N2C)CC3=CSC(=N3)N