N-methyl-6-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase编号: 564986
• 分子式: C23H21N3OS
• 平均质量: 387.49734
• 单一同位素质量: 387.14053331
• SMILES: c1(n2c(nc(c2)c2ccccc2)sc1)C(=O)N(C1c2c(CCC1)cccc2)C
• Canonical SMILES: O=C(c1csc2n1cc(n2)c1ccccc1)N(C1CCCc2c1cccc2)C
• InChI: InChI=1S/C23H21N3OS/c1-25(20-13-7-11-16-8-5-6-12-18(16)20)22(27)21-15-28-23-24-19(14-26(21)23)17-9-3-2-4-10-17/h2-6,8-10,12,14-15,20H,7,11,13H2,1H3
• InChIKey: WDJXRENTQYZYIG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-6-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC传统名: N-methyl-6-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• 别名: N-methyl-6-phenyl-N-(1,2,3,4-tetrahydro-1-naphthalenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.7559934
• LogD (pH = 7.4): 4.757566
• Log P: 4.757586
• 摩尔折射率: 123.8203 cm^3
• 极化性: 43.768394 Å^3
• 极化表面积: 37.61 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: 3
• 质子供体: 0
• Log P: 4.93
• LOG S: -6.22
• 极化表面积: 37.61 Å^2
• 可自由旋转的化学键: 3