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

• ChemBase ID: 310339
• Molecular Formular: C6H11Cl2N3OS
• Molecular Mass: 244.14204
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[2,1-b][1,3]thiazol-6-ylmethanamine hydrate dihydrochloride
• IUPAC Traditional name: imidazo[2,1-b][1,3]thiazol-6-ylmethanamine hydrate dihydrochloride
• Synonyms: (imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amine dihydrochloride hydrate

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.677384
• LogD (pH = 7.4): -1.0634688
• Log P: 4.9106864E-4
• Molar Refractivity: 51.4636 cm^3
• Polarizability: 15.352601 Å^3
• Polar Surface Area: 43.32 Å^2