6-(2,5-dimethylphenyl)-N-methyl-N-(oxolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase编号: 383525
• 分子式: C19H21N3O2S
• 平均质量: 355.45394
• 单一同位素质量: 355.13544793
• SMILES: c1(n2c(nc(c2)c2c(ccc(c2)C)C)sc1)C(=O)N(C1CCOC1)C
• Canonical SMILES: Cc1ccc(c(c1)c1cn2c(n1)scc2C(=O)N(C1COCC1)C)C
• InChI: InChI=1S/C19H21N3O2S/c1-12-4-5-13(2)15(8-12)16-9-22-17(11-25-19(22)20-16)18(23)21(3)14-6-7-24-10-14/h4-5,8-9,11,14H,6-7,10H2,1-3H3
• InChIKey: RMVCKHHZYBENGT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-(2,5-dimethylphenyl)-N-methyl-N-(oxolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC传统名: 6-(2,5-dimethylphenyl)-N-methyl-N-(oxolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• 别名: 6-(2,5-dimethylphenyl)-N-methyl-N-(tetrahydro-3-furanyl)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): 2.970816
• LogD (pH = 7.4): 2.9723692
• Log P: 2.9723892
• 摩尔折射率: 110.7184 cm^3
• 极化性: 38.460735 Å^3
• 极化表面积: 46.84 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: 4
• 质子供体: 0
• Log P: 2.72
• LOG S: -4.53
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 3