{6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methanamine

• ChemBase ID: 118050
• Molecular Formular: C7H9N3S
• Molecular Mass: 167.23146
• Monoisotopic Mass: 167.0517183
• SMILES: c12n(c(c(n1)C)CN)ccs2
• Canonical SMILES: Cc1nc2n(c1CN)ccs2
• InChI: InChI=1S/C7H9N3S/c1-5-6(4-8)10-2-3-11-7(10)9-5/h2-3H,4,8H2,1H3
• InChIKey: GQVOAHURTUVFFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methanamine
• IUPAC Traditional name: {6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methanamine
• Synonyms: [(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]amine

Database IDs

• MDL Number: MFCD12048754
• PubChem SID: 162089672
• PubChem CID: 43754770

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0729983
• LogD (pH = 7.4): -1.3642805
• Log P: -0.1039
• Molar Refractivity: 56.4548 cm^3
• Polarizability: 17.112492 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.302

Product Information

• Purity: 95+%