N-(cyclopropylmethyl)-6-(3-methoxyphenyl)-N-propylimidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase编号: 458322
• 分子式: C20H23N3O2S
• 平均质量: 369.48052
• 单一同位素质量: 369.15109799
• SMILES: n12c(C(=O)N(CC3CC3)CCC)csc1nc(c2)c1cc(OC)ccc1
• Canonical SMILES: CCCN(C(=O)c1csc2n1cc(n2)c1cccc(c1)OC)CC1CC1
• InChI: InChI=1S/C20H23N3O2S/c1-3-9-22(11-14-7-8-14)19(24)18-13-26-20-21-17(12-23(18)20)15-5-4-6-16(10-15)25-2/h4-6,10,12-14H,3,7-9,11H2,1-2H3
• InChIKey: YQOWYONDYRIJRF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(cyclopropylmethyl)-6-(3-methoxyphenyl)-N-propylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC传统名: N-(cyclopropylmethyl)-6-(3-methoxyphenyl)-N-propylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• 别名: N-(cyclopropylmethyl)-6-(3-methoxyphenyl)-N-propylimidazo[2,1-b][1,3]thiazole-3-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.5449822
• LogD (pH = 7.4): 3.5465364
• Log P: 3.5465562
• 摩尔折射率: 114.7037 cm^3
• 极化性: 40.441425 Å^3
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 3.81
• LOG S: -5.04
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 4