{2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl}methanamine

• ChemBase ID: 306694
• Molecular Formular: C8H11N3S
• Molecular Mass: 181.25804
• Monoisotopic Mass: 181.06736837
• SMILES: c12n(c(c(s2)C)C)cc(n1)CN
• Canonical SMILES: NCc1cn2c(n1)sc(c2C)C
• InChI: InChI=1S/C8H11N3S/c1-5-6(2)12-8-10-7(3-9)4-11(5)8/h4H,3,9H2,1-2H3
• InChIKey: OQMCRYHMZJYCHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl}methanamine
• IUPAC Traditional name: {2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl}methanamine
• Synonyms: 1-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methanamine

Database IDs

• MDL Number: MFCD09055214

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8335017
• LogD (pH = 7.4): -0.21908237
• Log P: 0.8459132
• Molar Refractivity: 61.6696 cm^3
• Polarizability: 18.863073 Å^3
• Polar Surface Area: 43.32 Å^2