HCID57351276

N-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide

C13H13FN2O3S2328.4 g/molCAS 593959-19-4

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IDENTITY

结构与身份

标准SMILES: CC(=O)Nc1nc(C)c(-c2ccc(S(C)(=O)=O)c(F)c2)s1
InChIKey: BNPONKLNSVKAJY-UHFFFAOYSA-N
分子式: C13H13FN2O3S2
平均分子量: 328.4 g/mol
单同位素质量: 328.03516279

COMPUTED

结构计算性质

已同步

XLogP: 1.9
极性表面积: 113 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 3
重原子: 21
形式电荷: 0
复杂度: 494

ALIASES

名称与别名

共 11 条

593959-19-4CHEMBL2071330N-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamideSCHEMBL48660DTXSID50722306BNPONKLNSVKAJY-UHFFFAOYSA-NBDBM50390416DB-144118N-[5-(3-Fluoro-4-methanesulfonyl-phenyl)-4-methyl-thiazol-2-yl]-acetamideN-[5-[3-fluoro-4-(methanesulfonyl)phenyl]-4-methylthiazol-2-yl]acetamideN-{5-[3-Fluoro-4-(methanesulfonyl)phenyl]-4-methyl-1,3-thiazol-2-yl}acetamide

REACTIONS