({6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[2,1-b][1,3]thiazol-5-yl}methyl)(methyl)(2-methylprop-2-en-1-yl)amine

• ChemBase编号: 730244
• 分子式: C18H26N4O2S
• 平均质量: 362.48964
• 单一同位素质量: 362.17764709
• SMILES: c1(c(n2c(n1)scc2)CN(CC(=C)C)C)C(=O)N1C[C@@H](O[C@@H](C1)C)C
• Canonical SMILES: CC(=C)CN(Cc1c(nc2n1ccs2)C(=O)N1C[C@H](C)O[C@@H](C1)C)C
• InChI: InChI=1S/C18H26N4O2S/c1-12(2)8-20(5)11-15-16(19-18-22(15)6-7-25-18)17(23)21-9-13(3)24-14(4)10-21/h6-7,13-14H,1,8-11H2,2-5H3/t13-,14+
• InChIKey: CBYGYOPCAKYCCN-OKILXGFUSA-N

名称和登记号

名称

• IUPAC标准名: ({6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[2,1-b][1,3]thiazol-5-yl}methyl)(methyl)(2-methylprop-2-en-1-yl)amine
• IUPAC传统名: ({6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[2,1-b][1,3]thiazol-5-yl}methyl)(methyl)(2-methylprop-2-en-1-yl)amine
• 别名: N-[(6-{[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]carbonyl}imidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N,2-dimethylprop-2-en-1-amine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.07257692
• LogD (pH = 7.4): 1.6468686
• Log P: 1.927752
• 摩尔折射率: 111.7892 cm^3
• 极化性: 38.177822 Å^3
• 极化表面积: 50.08 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: 4
• 质子供体: 0
• Log P: 2.65
• LOG S: -4.11
• 极化表面积: 50.08 Å^2
• 可自由旋转的化学键: 5