6-(4-fluorophenyl)-N-methyl-N-{[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 585057
• Molecular Formular: C19H18FN5O2S
• Molecular Mass: 399.4419232
• Monoisotopic Mass: 399.11652406
• SMILES: n12c(C(=O)N(Cc3nc(no3)C(C)C)C)csc1nc(c2)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)c1cn2c(n1)scc2C(=O)N(Cc1onc(n1)C(C)C)C
• InChI: InChI=1S/C19H18FN5O2S/c1-11(2)17-22-16(27-23-17)9-24(3)18(26)15-10-28-19-21-14(8-25(15)19)12-4-6-13(20)7-5-12/h4-8,10-11H,9H2,1-3H3
• InChIKey: RQUMMAAEXGDNFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-fluorophenyl)-N-methyl-N-{[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: 6-(4-fluorophenyl)-N-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: 6-(4-fluorophenyl)-N-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.6047177
• LogD (pH = 7.4): 3.6062777
• Log P: 3.6062975
• Molar Refractivity: 115.6238 cm^3
• Polarizability: 39.31982 Å^3
• Polar Surface Area: 76.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.82
• LOG S: -4.52
• Polar Surface Area: 76.53 Å^2
• Rotatable Bonds: 5