imidazo[2,1-b][1,3]thiazol-6-ylmethanamine hydrate dihydrochloride

• ChemBase编号: 310339
• 分子式: C6H11Cl2N3OS
• 平均质量: 244.14204
• 单一同位素质量: 242.99998835
• SMILES: c12nc(cn1ccs2)CN.Cl.Cl.O
• Canonical SMILES: NCc1nc2n(c1)ccs2.O.Cl.Cl
• InChI: InChI=1S/C6H7N3S.2ClH.H2O/c7-3-5-4-9-1-2-10-6(9)8-5;;;/h1-2,4H,3,7H2;2*1H;1H2
• InChIKey: ZFASEBTXIBLBQT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: imidazo[2,1-b][1,3]thiazol-6-ylmethanamine hydrate dihydrochloride
• IUPAC传统名: imidazo[2,1-b][1,3]thiazol-6-ylmethanamine hydrate dihydrochloride
• 别名: (imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amine dihydrochloride hydrate

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.677384
• LogD (pH = 7.4): -1.0634688
• Log P: 4.9106864E-4
• 摩尔折射率: 51.4636 cm^3
• 极化性: 15.352601 Å^3
• 极化表面积: 43.32 Å^2