6-(3-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine

• ChemBase ID: 248441
• Molecular Formular: C12H11N3S
• Molecular Mass: 229.30084
• Monoisotopic Mass: 229.06736837
• SMILES: n12c(nc(c1N)c1cc(ccc1)C)scc2
• Canonical SMILES: Cc1cccc(c1)c1nc2n(c1N)ccs2
• InChI: InChI=1S/C12H11N3S/c1-8-3-2-4-9(7-8)10-11(13)15-5-6-16-12(15)14-10/h2-7H,13H2,1H3
• InChIKey: CKNFTTYQIVZXDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(3-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
• IUPAC Traditional name: 6-(3-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
• Synonyms: 6-(3-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine

Database IDs

• PubChem SID: 164304351
• PubChem CID: 71758495

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4728072
• LogD (pH = 7.4): 2.5531702
• Log P: 2.5543
• Molar Refractivity: 77.2715 cm^3
• Polarizability: 25.819262 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%