HCID53271184

2-Methyl-5-m-tolyl-thiazole-4-carboxylic acid methyl ester

methyl 2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate

C13H13NO2S247.31 g/molCAS 1007873-98-4

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1nc(C)sc1-c1cccc(C)c1
InChIKey: NQIAJWCHXLSJNG-UHFFFAOYSA-N
分子式: C13H13NO2S
平均分子量: 247.31 g/mol
单同位素质量: 247.06669983

COMPUTED

结构计算性质

已同步

XLogP: 3.6
极性表面积: 67.4 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 3
重原子: 17
形式电荷: 0
复杂度: 285

ALIASES

名称与别名

共 10 条

2-methyl-5-m-tolyl-thiazole-4-carboxylic acid methyl ester1007873-98-4methyl 2-methyl-5-m-tolylthiazole-4-carboxylateSCHEMBL270026NQIAJWCHXLSJNG-UHFFFAOYSA-NDTXSID801202786AKOS005210985DB-330483Methyl 2-methyl-5-(3-methylphenyl)-4-thiazolecarboxylatemethyl 2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate

REACTIONS