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

• ChemBase ID: 24536
• Molecular Formular: C7H10ClN3S
• Molecular Mass: 203.6924
• Monoisotopic Mass: 203.02839602
• SMILES: c12n(cc(n1)CCN)ccs2.Cl
• Canonical SMILES: NCCc1cn2c(n1)scc2.Cl
• InChI: InChI=1S/C7H9N3S.ClH/c8-2-1-6-5-10-3-4-11-7(10)9-6;/h3-5H,1-2,8H2;1H
• InChIKey: MQMPUSRPZQSMOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{imidazo[2,1-b][1,3]thiazol-6-yl}ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-{imidazo[2,1-b][1,3]thiazol-6-yl}ethanamine hydrochloride
• Synonyms: 2-Imidazo[2,1-b][1,3]thiazol-6-ylethanamine hydrochloride

Database IDs

• CAS Number: 933698-24-9
• MDL Number: MFCD12922719
• PubChem SID: 160987843
• PubChem CID: 56829413

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0626328
• LogD (pH = 7.4): -1.8244176
• Log P: 0.2929
• Molar Refractivity: 56.163 cm^3
• Polarizability: 17.1143 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false