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

• ChemBase ID: 248449
• Molecular Formular: C12H11N3S
• Molecular Mass: 229.30084
• Monoisotopic Mass: 229.06736837
• SMILES: n12c(nc(c1N)c1ccccc1)scc2C
• Canonical SMILES: Cc1csc2n1c(N)c(n2)c1ccccc1
• InChI: InChI=1S/C12H11N3S/c1-8-7-16-12-14-10(11(13)15(8)12)9-5-3-2-4-6-9/h2-7H,13H2,1H3
• InChIKey: FHQUOFQXOGXNQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164304359
• PubChem CID: 71683740

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9473424
• LogD (pH = 7.4): 2.0992627
• Log P: 2.1016
• Molar Refractivity: 77.38 cm^3
• Polarizability: 25.816309 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.467

Product Information

• Purity: null%