N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 352305
• 分子式: C17H20N4OS
• 平均质量: 328.4319
• 单一同位素质量: 328.13578228
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)N(C(c1nc(sc1C)C)C)C
• Canonical SMILES: Cc1nc(c(s1)C)C(N(C(=O)c1nc2n(c1)cc(cc2)C)C)C
• InChI: InChI=1S/C17H20N4OS/c1-10-6-7-15-19-14(9-21(15)8-10)17(22)20(5)11(2)16-12(3)23-13(4)18-16/h6-9,11H,1-5H3
• InChIKey: CAZZIZDPWGPNKD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• 别名: N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.747067
• LogD (pH = 7.4): 2.7590866
• Log P: 2.759241
• 摩尔折射率: 92.7671 cm^3
• 极化性: 34.317593 Å^3
• 极化表面积: 50.5 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 1.91
• LOG S: -3.23
• 极化表面积: 50.5 Å^2
• 可自由旋转的化学键: 3