AC1MTIQE
methyl 2-acetamido-2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoropropanoate
Also Known As: AG-389/41006633|methyl 2-(acetylamino)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3,3,3-trifluoroalaninate|(S)-methyl 2-acetamido-2-((4,5-dimethylbenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoropropanoate|methyl 2-(acetylamino)-2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoropropanoate|methyl 2-acetamido-2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoropropanoate
| Molecular Formula | C15H16F3N3O3S |
|---|---|
| Molecular Weight | 375.08646 g/mol |
| LogP | 2.89274 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.08646 |
| Monoisotopic Mass | 375.08646 |
| Heavy Atoms | 25 |
| Complexity | 834.5164 |
Chemical Identifiers
| CAS Number | 488102-69-8 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)SC(=N2)NC(C(=O)OC)(C(F)(F)F)NC(=O)C)C |
Product Overview
AC1MTIQE (CAS 488102-69-8), with molecular formula C15H16F3N3O3S and molecular weight 375.08646 g/mol. IUPAC: methyl 2-acetamido-2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoropropanoate.
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