{2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl}methanamine

• ChemBase编号: 306694
• 分子式: C8H11N3S
• 平均质量: 181.25804
• 单一同位素质量: 181.06736837
• SMILES: c12n(c(c(s2)C)C)cc(n1)CN
• Canonical SMILES: NCc1cn2c(n1)sc(c2C)C
• InChI: InChI=1S/C8H11N3S/c1-5-6(2)12-8-10-7(3-9)4-11(5)8/h4H,3,9H2,1-2H3
• InChIKey: OQMCRYHMZJYCHO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl}methanamine
• IUPAC传统名: {2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl}methanamine
• 别名: 1-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methanamine

登记号

• MDL号: MFCD09055214

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.8335017
• LogD (pH = 7.4): -0.21908237
• Log P: 0.8459132
• 摩尔折射率: 61.6696 cm^3
• 极化性: 18.863073 Å^3
• 极化表面积: 43.32 Å^2