N,2,6-trimethyl-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide

• ChemBase编号: 512635
• 分子式: C15H17N5OS
• 平均质量: 315.39338
• 单一同位素质量: 315.11538119
• SMILES: c1(n2c(nc1C)ccc(c2)C)C(=O)N(Cc1c(nns1)C)C
• Canonical SMILES: Cc1ccc2n(c1)c(c(n2)C)C(=O)N(Cc1snnc1C)C
• InChI: InChI=1S/C15H17N5OS/c1-9-5-6-13-16-11(3)14(20(13)7-9)15(21)19(4)8-12-10(2)17-18-22-12/h5-7H,8H2,1-4H3
• InChIKey: ICZKKLZYBLKHPI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,2,6-trimethyl-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
• IUPAC传统名: N,2,6-trimethyl-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
• 别名: N,2,6-trimethyl-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.0788316
• LogD (pH = 7.4): 1.1975931
• Log P: 1.1993549
• 摩尔折射率: 87.6046 cm^3
• 极化性: 31.665838 Å^3
• 极化表面积: 63.39 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: 4
• 质子供体: 0
• Log P: 1.33
• LOG S: -2.64
• 极化表面积: 63.39 Å^2
• 可自由旋转的化学键: 3