[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine

• ChemBase ID: 118053
• Molecular Formular: C12H10ClN3S
• Molecular Mass: 263.7459
• Monoisotopic Mass: 263.02839602
• SMILES: c12nc(c(n1ccs2)CN)c1ccc(cc1)Cl
• Canonical SMILES: NCc1c(nc2n1ccs2)c1ccc(cc1)Cl
• InChI: InChI=1S/C12H10ClN3S/c13-9-3-1-8(2-4-9)11-10(7-14)16-5-6-17-12(16)15-11/h1-6H,7,14H2
• InChIKey: HUOCZEFTUHYIQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
• IUPAC Traditional name: [6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
• Synonyms: {[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}amine

Database IDs

• MDL Number: MFCD11602405
• PubChem SID: 162098655
• PubChem CID: 28325895

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8381676
• LogD (pH = 7.4): 0.7364161
• Log P: 2.327
• Molar Refractivity: 81.4323 cm^3
• Polarizability: 28.146011 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.952

Product Information

• Purity: 95+%