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

• ChemBase ID: 118051
• Molecular Formular: C12H11N3S
• Molecular Mass: 229.30084
• Monoisotopic Mass: 229.06736837
• SMILES: c12nc(c(n1ccs2)CN)c1ccccc1
• Canonical SMILES: NCc1c(nc2n1ccs2)c1ccccc1
• InChI: InChI=1S/C12H11N3S/c13-8-10-11(9-4-2-1-3-5-9)14-12-15(10)6-7-16-12/h1-7H,8,13H2
• InChIKey: IPDICTQOUPYDKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11602399
• PubChem SID: 162090848
• PubChem CID: 28325883

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3562707
• LogD (pH = 7.4): 0.21820784
• Log P: 1.809
• Molar Refractivity: 76.6275 cm^3
• Polarizability: 26.303898 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.36

Product Information

• Purity: 95+%