6-(3-fluorophenyl)-N-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 570445
• Molecular Formular: C18H16FN5OS
• Molecular Mass: 369.4159432
• Monoisotopic Mass: 369.10595938
• SMILES: n12c(C(=O)N(Cc3n(ccn3)C)C)csc1nc(c2)c1cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)c1cn2c(n1)scc2C(=O)N(Cc1nccn1C)C
• InChI: InChI=1S/C18H16FN5OS/c1-22-7-6-20-16(22)10-23(2)17(25)15-11-26-18-21-14(9-24(15)18)12-4-3-5-13(19)8-12/h3-9,11H,10H2,1-2H3
• InChIKey: DGLOFNRUJSTYJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(3-fluorophenyl)-N-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: 6-(3-fluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: 6-(3-fluorophenyl)-N-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5395951
• LogD (pH = 7.4): 2.0721776
• Log P: 2.0898676
• Molar Refractivity: 109.0334 cm^3
• Polarizability: 37.299625 Å^3
• Polar Surface Area: 55.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.95
• LOG S: -4.79
• Polar Surface Area: 55.43 Å^2
• Rotatable Bonds: 4