N-methyl-N-({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

• ChemBase编号: 503147
• 分子式: C16H15N5OS
• 平均质量: 325.3882
• 单一同位素质量: 325.09973113
• SMILES: c1(nc2n(c1)ccs2)C(=O)N(Cc1n2c(nc1C)cccc2)C
• Canonical SMILES: CN(C(=O)c1cn2c(n1)scc2)Cc1c(C)nc2n1cccc2
• InChI: InChI=1S/C16H15N5OS/c1-11-13(21-6-4-3-5-14(21)17-11)10-19(2)15(22)12-9-20-7-8-23-16(20)18-12/h3-9H,10H2,1-2H3
• InChIKey: ZVXXOBHATQTNGZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-N-({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
• IUPAC传统名: N-methyl-N-({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
• 别名: N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.36909434
• LogD (pH = 7.4): 1.0172626
• Log P: 1.0392416
• 摩尔折射率: 100.9722 cm^3
• 极化性: 32.845444 Å^3
• 极化表面积: 54.91 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: 2.28
• LOG S: -3.52
• 极化表面积: 54.91 Å^2
• 可自由旋转的化学键: 3