N-(2-methoxyethyl)-6-(2-methylphenyl)-N-(propan-2-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase编号: 366648
• 分子式: C19H23N3O2S
• 平均质量: 357.46982
• 单一同位素质量: 357.15109799
• SMILES: c1(n2c(nc(c2)c2c(C)cccc2)sc1)C(=O)N(C(C)C)CCOC
• Canonical SMILES: COCCN(C(=O)c1csc2n1cc(n2)c1ccccc1C)C(C)C
• InChI: InChI=1S/C19H23N3O2S/c1-13(2)21(9-10-24-4)18(23)17-12-25-19-20-16(11-22(17)19)15-8-6-5-7-14(15)3/h5-8,11-13H,9-10H2,1-4H3
• InChIKey: JWHWVMCDZDUBPY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-methoxyethyl)-6-(2-methylphenyl)-N-(propan-2-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC传统名: N-isopropyl-N-(2-methoxyethyl)-6-(2-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• 别名: N-isopropyl-N-(2-methoxyethyl)-6-(2-methylphenyl)imidazo[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): 3.2825782
• LogD (pH = 7.4): 3.2841291
• Log P: 3.284149
• 摩尔折射率: 112.278 cm^3
• 极化性: 39.266235 Å^3
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 3.13
• LOG S: -4.1
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 4