6-(4-chlorophenyl)-N-cyclohexyl-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase编号: 436696
• 分子式: C19H20ClN3OS
• 平均质量: 373.8996
• 单一同位素质量: 373.10156096
• SMILES: c1(n2c(nc(c2)c2ccc(cc2)Cl)sc1)C(=O)N(C1CCCCC1)C
• Canonical SMILES: CN(C(=O)c1csc2n1cc(n2)c1ccc(cc1)Cl)C1CCCCC1
• InChI: InChI=1S/C19H20ClN3OS/c1-22(15-5-3-2-4-6-15)18(24)17-12-25-19-21-16(11-23(17)19)13-7-9-14(20)10-8-13/h7-12,15H,2-6H2,1H3
• InChIKey: GWWRAZBOZJDSNB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-(4-chlorophenyl)-N-cyclohexyl-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC传统名: 6-(4-chlorophenyl)-N-cyclohexyl-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• 别名: 6-(4-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): 4.4460316
• LogD (pH = 7.4): 4.447615
• Log P: 4.447635
• 摩尔折射率: 112.8449 cm^3
• 极化性: 39.790062 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