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

• ChemBase ID: 24537
• Molecular Formular: C6H8ClN3S
• Molecular Mass: 189.66582
• Monoisotopic Mass: 189.01274595
• SMILES: c12nc(cn1ccs2)CN.Cl
• Canonical SMILES: NCc1cn2c(n1)scc2.Cl
• InChI: InChI=1S/C6H7N3S.ClH/c7-3-5-4-9-1-2-10-6(9)8-5;/h1-2,4H,3,7H2;1H
• InChIKey: IWGRYRWUGAWZMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[2,1-b][1,3]thiazol-6-ylmethanamine hydrochloride
• IUPAC Traditional name: imidazo[2,1-b][1,3]thiazol-6-ylmethanamine hydrochloride
• Synonyms: 1-Imidazo[2,1-b][1,3]thiazol-6-ylmethanamine hydrochloride; imidazo[2,1-b][1,3]thiazol-6-ylmethanamine hydrochloride

Database IDs

• MDL Number: MFCD08445293
• PubChem SID: 160987844
• PubChem CID: 24671410

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.702967
• LogD (pH = 7.4): -0.9549815
• Log P: 0.1116
• Molar Refractivity: 51.4636 cm^3
• Polarizability: 15.352601 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 32 - 34°C
• Hydrophobicity(logP): -0.081

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%