2-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-yl}ethan-1-amine dihydrochloride

• ChemBase ID: 121998
• Molecular Formular: C7H13Cl2N3S
• Molecular Mass: 242.16922
• Monoisotopic Mass: 241.02072379
• SMILES: c12nc(cn1CCS2)CCN.Cl.Cl
• Canonical SMILES: NCCc1nc2n(c1)CCS2.Cl.Cl
• InChI: InChI=1S/C7H11N3S.2ClH/c8-2-1-6-5-10-3-4-11-7(10)9-6;;/h5H,1-4,8H2;2*1H
• InChIKey: WKPIUMPLSXLDJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-yl}ethan-1-amine dihydrochloride
• IUPAC Traditional name: 2-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-yl}ethanamine dihydrochloride
• Synonyms: 2-(2,3-dihydroimidazo[2,1-b]thiazol-6-yl)ethanamine dihydrochloride

Database IDs

• PubChem SID: 162216351
• PubChem CID: 16418361

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6314306
• LogD (pH = 7.4): -1.7069533
• Log P: 0.4039617
• Molar Refractivity: 47.0265 cm^3
• Polarizability: 18.213676 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: 2 HCl