HCID66767982

2-(3-Amino-5-methyl-1H-pyrazol-4-YL)-benzothiazole-6-carboxylic acid methyl ester

methyl 2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazole-6-carboxylate

C13H12N4O2S288.33 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1ccc2nc(-c3c(N)n[nH]c3C)sc2c1
InChIKey: ZFENCOLQOBJLNZ-UHFFFAOYSA-N
分子式: C13H12N4O2S
平均分子量: 288.33 g/mol
单同位素质量: 288.06809681

COMPUTED

结构计算性质

等待补全

XLogP: 2.2
极性表面积: 122 Å²
氢键供体: 2
氢键受体: 6
可旋转键: 3
重原子: 20
形式电荷: 0
复杂度: 383

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 7 条

SCHEMBL686482CHEMBL3680997ZFENCOLQOBJLNZ-UHFFFAOYSA-NBDBM1239352-(3-AMINO-5-METHYL-1H-PYRAZOL-4-YL)-BENZOTHIAZOLE-6-CARBOXYLIC ACID METHYL ESTER2-(3-Amino-5-methyl-1H-pyrazol-4-yl)benzothiazole-6-carboxylic acid methyl esterUS8754233, 2-(3-Amino-5-methyl-1H-pyrazol-4-yl)-benzothiazole-6-carboxylic acid methyl ester

REACTIONS