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

• ChemBase ID: 248450
• Molecular Formular: C12H11N3S
• Molecular Mass: 229.30084
• Monoisotopic Mass: 229.06736837
• SMILES: n12c(nc(c1N)c1ccccc1)sc(c2)C
• Canonical SMILES: Cc1cn2c(s1)nc(c2N)c1ccccc1
• InChI: InChI=1S/C12H11N3S/c1-8-7-15-11(13)10(14-12(15)16-8)9-5-3-2-4-6-9/h2-7H,13H2,1H3
• InChIKey: GDSSPRYPVCTHKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164304360
• PubChem CID: 71683741

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.536686
• LogD (pH = 7.4): 2.704858
• Log P: 2.7075
• Molar Refractivity: 77.2866 cm^3
• Polarizability: 25.813818 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%