2-(dimethyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)acetamide

• ChemBase编号: 764186
• 分子式: C15H20N2O2S2
• 平均质量: 324.4615
• 单一同位素质量: 324.09661989
• SMILES: c1(CC(=O)N(Cc2cscc2)CCOC)sc(nc1C)C
• Canonical SMILES: COCCN(C(=O)Cc1sc(nc1C)C)Cc1cscc1
• InChI: InChI=1S/C15H20N2O2S2/c1-11-14(21-12(2)16-11)8-15(18)17(5-6-19-3)9-13-4-7-20-10-13/h4,7,10H,5-6,8-9H2,1-3H3
• InChIKey: FQXQHTKMBLYZDU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(dimethyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)acetamide
• IUPAC传统名: 2-(dimethyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)acetamide
• 别名: 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)-N-(3-thienylmethyl)acetamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.7531302
• LogD (pH = 7.4): 1.7549865
• Log P: 1.7550102
• 摩尔折射率: 85.7678 cm^3
• 极化性: 32.859055 Å^3
• 极化表面积: 42.43 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: 3
• 质子供体: 0
• Log P: 2.11
• LOG S: -3.37
• 极化表面积: 42.43 Å^2
• 可自由旋转的化学键: 7