6-(2-fluorophenyl)-N-[2-(3-hydroxypiperidin-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 783297
• Molecular Formular: C19H21FN4O2S
• Molecular Mass: 388.4590432
• Monoisotopic Mass: 388.13692515
• SMILES: n12c(nc(c2)c2c(F)cccc2)scc1C(=O)NCCN1CC(O)CCC1
• Canonical SMILES: OC1CCCN(C1)CCNC(=O)c1csc2n1cc(n2)c1ccccc1F
• InChI: InChI=1S/C19H21FN4O2S/c20-15-6-2-1-5-14(15)16-11-24-17(12-27-19(24)22-16)18(26)21-7-9-23-8-3-4-13(25)10-23/h1-2,5-6,11-13,25H,3-4,7-10H2,(H,21,26)
• InChIKey: SNJJHYDQHFEWTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-fluorophenyl)-N-[2-(3-hydroxypiperidin-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: 6-(2-fluorophenyl)-N-[2-(3-hydroxypiperidin-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: 6-(2-fluorophenyl)-N-[2-(3-hydroxypiperidin-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.62041
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.34119913
• LogD (pH = 7.4): 1.3381379
• Log P: 1.7574528
• Molar Refractivity: 113.8682 cm^3
• Polarizability: 39.761013 Å^3
• Polar Surface Area: 69.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.67
• LOG S: -4.31
• Polar Surface Area: 69.87 Å^2
• Rotatable Bonds: 5