6-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase编号: 562340
• 分子式: C19H16FN3O3S
• 平均质量: 385.4120432
• 单一同位素质量: 385.08964061
• SMILES: n12c(C(=O)N(Cc3occc3)C)csc1nc(c2)c1cc(c(cc1)OC)F
• Canonical SMILES: COc1ccc(cc1F)c1cn2c(n1)scc2C(=O)N(Cc1ccco1)C
• InChI: InChI=1S/C19H16FN3O3S/c1-22(9-13-4-3-7-26-13)18(24)16-11-27-19-21-15(10-23(16)19)12-5-6-17(25-2)14(20)8-12/h3-8,10-11H,9H2,1-2H3
• InChIKey: ZFQTZKAMTOAABO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC传统名: 6-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• 别名: 6-(3-fluoro-4-methoxyphenyl)-N-(2-furylmethyl)-N-methylimidazo[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): 2.812489
• LogD (pH = 7.4): 2.8140504
• Log P: 2.8140705
• 摩尔折射率: 110.709 cm^3
• 极化性: 38.13093 Å^3
• 极化表面积: 59.98 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 3.17
• LOG S: -4.67
• 极化表面积: 59.98 Å^2
• 可自由旋转的化学键: 4