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

• ChemBase ID: 121999
• Molecular Formular: C6H11Cl2N3S
• Molecular Mass: 228.14264
• Monoisotopic Mass: 227.00507373
• SMILES: c12nc(cn1CCS2)CN.Cl.Cl
• Canonical SMILES: NCc1cn2c(n1)SCC2.Cl.Cl
• InChI: InChI=1S/C6H9N3S.2ClH/c7-3-5-4-9-1-2-10-6(9)8-5;;/h4H,1-3,7H2;2*1H
• InChIKey: LDGKQMMCIVOJLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine dihydrochloride
• IUPAC Traditional name: 2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine dihydrochloride
• Synonyms: (2,3-dihydroimidazo[2,1-b]thiazol-6-yl)methanamine dihydrochloride

Database IDs

• PubChem SID: 162216352
• PubChem CID: 16426072

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.566287
• LogD (pH = 7.4): -0.99186677
• Log P: 0.16694896
• Molar Refractivity: 42.3271 cm^3
• Polarizability: 16.44798 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: 2 HCl