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

• ChemBase ID: 255820
• Molecular Formular: C6H7N3S
• Molecular Mass: 153.20488
• Monoisotopic Mass: 153.03606824
• SMILES: c12nc(cn1ccs2)CN
• Canonical SMILES: NCc1cn2c(n1)scc2
• InChI: InChI=1S/C6H7N3S/c7-3-5-4-9-1-2-10-6(9)8-5/h1-2,4H,3,7H2
• InChIKey: DHSVDAKPQOFXKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 449799-30-8
• MDL Number: MFCD06660668
• PubChem SID: 164311730
• PubChem CID: 4680249

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
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

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

Product Information

• Purity: 95%