4-(3-fluorophenoxy)-1-[4-methyl-2-(propan-2-yl)-1,3-thiazole-5-carbonyl]piperidine

• ChemBase ID: 725039
• Molecular Formular: C19H23FN2O2S
• Molecular Mass: 362.4615232
• Monoisotopic Mass: 362.14642721
• SMILES: c1(sc(nc1C)C(C)C)C(=O)N1CCC(Oc2cc(F)ccc2)CC1
• Canonical SMILES: Fc1cccc(c1)OC1CCN(CC1)C(=O)c1sc(nc1C)C(C)C
• InChI: InChI=1S/C19H23FN2O2S/c1-12(2)18-21-13(3)17(25-18)19(23)22-9-7-15(8-10-22)24-16-6-4-5-14(20)11-16/h4-6,11-12,15H,7-10H2,1-3H3
• InChIKey: SETUYDDEHUPURW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-fluorophenoxy)-1-[4-methyl-2-(propan-2-yl)-1,3-thiazole-5-carbonyl]piperidine
• IUPAC Traditional name: 4-(3-fluorophenoxy)-1-(2-isopropyl-4-methyl-1,3-thiazole-5-carbonyl)piperidine
• Synonyms: 4-(3-fluorophenoxy)-1-[(2-isopropyl-4-methyl-1,3-thiazol-5-yl)carbonyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3552854
• LogD (pH = 7.4): 3.35534
• Log P: 3.3553407
• Molar Refractivity: 96.3565 cm^3
• Polarizability: 36.613308 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.95
• LOG S: -4.36
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 4