6-phenylimidazo[2,1-b][1,3]thiazol-5-amine

• ChemBase ID: 242648
• Molecular Formular: C11H9N3S
• Molecular Mass: 215.27426
• Monoisotopic Mass: 215.0517183
• SMILES: n12c(nc(c1N)c1ccccc1)scc2
• Canonical SMILES: Nc1c(nc2n1ccs2)c1ccccc1
• InChI: InChI=1S/C11H9N3S/c12-10-9(8-4-2-1-3-5-8)13-11-14(10)6-7-15-11/h1-7H,12H2
• InChIKey: PBWGCNFJKNQDGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-phenylimidazo[2,1-b][1,3]thiazol-5-amine
• IUPAC Traditional name: 6-phenylimidazo[2,1-b][1,3]thiazol-5-amine
• Synonyms: 6-phenylimidazo[2,1-b][1,3]thiazol-5-amine

Database IDs

• CAS Number: 94574-42-2
• MDL Number: MFCD06372766
• PubChem SID: 164298558
• PubChem CID: 4961665

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.005528
• LogD (pH = 7.4): 2.085969
• Log P: 2.0871
• Molar Refractivity: 72.2303 cm^3
• Polarizability: 24.053612 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): 2.768

Product Information

• Purity: 95%