6-(3-chlorophenyl)-N-cyclohexyl-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase编号: 849029
• 分子式: C19H20ClN3OS
• 平均质量: 373.8996
• 单一同位素质量: 373.10156096
• SMILES: c1(n2c(nc(c2)c2cc(Cl)ccc2)sc1)C(=O)N(C1CCCCC1)C
• Canonical SMILES: Clc1cccc(c1)c1cn2c(n1)scc2C(=O)N(C1CCCCC1)C
• InChI: InChI=1S/C19H20ClN3OS/c1-22(15-8-3-2-4-9-15)18(24)17-12-25-19-21-16(11-23(17)19)13-6-5-7-14(20)10-13/h5-7,10-12,15H,2-4,8-9H2,1H3
• InChIKey: BUDOGXQFOPXGTA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-(3-chlorophenyl)-N-cyclohexyl-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC传统名: 6-(3-chlorophenyl)-N-cyclohexyl-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• 别名: 6-(3-chlorophenyl)-N-cyclohexyl-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.4460487
• LogD (pH = 7.4): 4.447615
• Log P: 4.447635
• 摩尔折射率: 112.8449 cm^3
• 极化性: 39.789917 Å^3
• 极化表面积: 37.61 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: 4.51
• LOG S: -6.17
• 极化表面积: 37.61 Å^2
• 可自由旋转的化学键: 3