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

• ChemBase ID: 310391
• Molecular Formular: C7H9N3S
• Molecular Mass: 167.23146
• Monoisotopic Mass: 167.0517183
• SMILES: c12n(cc(n1)CN)cc(s2)C
• Canonical SMILES: Cc1cn2c(s1)nc(c2)CN
• InChI: InChI=1S/C7H9N3S/c1-5-3-10-4-6(2-8)9-7(10)11-5/h3-4H,2,8H2,1H3
• InChIKey: KSLLZRAYBKILAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 518064-25-0
• MDL Number: MFCD11506342

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0322318
• LogD (pH = 7.4): -0.41829574
• Log P: 0.6463519
• Molar Refractivity: 56.5199 cm^3
• Polarizability: 17.106062 Å^3
• Polar Surface Area: 43.32 Å^2