N-cyclopentyl-N-({3-[2-(thiophen-2-yl)ethoxy]phenyl}methyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

• ChemBase编号: 727651
• 分子式: C24H25N3O2S2
• 平均质量: 451.6042
• 单一同位素质量: 451.13881906
• SMILES: c1(nc2n(c1)ccs2)C(=O)N(Cc1cc(OCCc2sccc2)ccc1)C1CCCC1
• Canonical SMILES: O=C(N(C1CCCC1)Cc1cccc(c1)OCCc1cccs1)c1cn2c(n1)scc2
• InChI: InChI=1S/C24H25N3O2S2/c28-23(22-17-26-11-14-31-24(26)25-22)27(19-6-1-2-7-19)16-18-5-3-8-20(15-18)29-12-10-21-9-4-13-30-21/h3-5,8-9,11,13-15,17,19H,1-2,6-7,10,12,16H2
• InChIKey: SFFMTDNZGIPYCG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopentyl-N-({3-[2-(thiophen-2-yl)ethoxy]phenyl}methyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
• IUPAC传统名: N-cyclopentyl-N-({3-[2-(thiophen-2-yl)ethoxy]phenyl}methyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
• 别名: N-cyclopentyl-N-{3-[2-(2-thienyl)ethoxy]benzyl}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): 5.324581
• LogD (pH = 7.4): 5.3246126
• Log P: 5.324613
• 摩尔折射率: 135.8691 cm^3
• 极化性: 47.26347 Å^3
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 5.07
• LOG S: -6.68
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 8