N-cyclohexyl-2-propyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide

• ChemBase编号: 506736
• 分子式: C19H25N3OS
• 平均质量: 343.4863
• 单一同位素质量: 343.17183344
• SMILES: c1(C(=O)N(Cc2ncccc2)C2CCCCC2)nc(sc1)CCC
• Canonical SMILES: CCCc1scc(n1)C(=O)N(C1CCCCC1)Cc1ccccn1
• InChI: InChI=1S/C19H25N3OS/c1-2-8-18-21-17(14-24-18)19(23)22(16-10-4-3-5-11-16)13-15-9-6-7-12-20-15/h6-7,9,12,14,16H,2-5,8,10-11,13H2,1H3
• InChIKey: JDJBJPCGZGGGHI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclohexyl-2-propyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
• IUPAC传统名: N-cyclohexyl-2-propyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
• 别名: N-cyclohexyl-2-propyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.9539313
• LogD (pH = 7.4): 3.9713664
• Log P: 3.9715936
• 摩尔折射率: 96.3825 cm^3
• 极化性: 37.24894 Å^3
• 极化表面积: 46.09 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.72
• LOG S: -2.73
• 极化表面积: 46.09 Å^2
• 可自由旋转的化学键: 6