N-(4-fluoro-2-methylphenyl)-3-[1-(4-methyl-1,2,3-thiadiazole-5-carbonyl)piperidin-3-yl]propanamide

• ChemBase ID: 768843
• Molecular Formular: C19H23FN4O2S
• Molecular Mass: 390.4749232
• Monoisotopic Mass: 390.15257522
• SMILES: c1(C(=O)N2CC(CCC(=O)Nc3c(cc(cc3)F)C)CCC2)c(nns1)C
• Canonical SMILES: O=C(Nc1ccc(cc1C)F)CCC1CCCN(C1)C(=O)c1snnc1C
• InChI: InChI=1S/C19H23FN4O2S/c1-12-10-15(20)6-7-16(12)21-17(25)8-5-14-4-3-9-24(11-14)19(26)18-13(2)22-23-27-18/h6-7,10,14H,3-5,8-9,11H2,1-2H3,(H,21,25)
• InChIKey: SNUKHIPJMHAQHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-fluoro-2-methylphenyl)-3-[1-(4-methyl-1,2,3-thiadiazole-5-carbonyl)piperidin-3-yl]propanamide
• IUPAC Traditional name: N-(4-fluoro-2-methylphenyl)-3-[1-(4-methyl-1,2,3-thiadiazole-5-carbonyl)piperidin-3-yl]propanamide
• Synonyms: N-(4-fluoro-2-methylphenyl)-3-{1-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-3-piperidinyl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.6285515
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.998445
• LogD (pH = 7.4): 2.9984453
• Log P: 2.9984453
• Molar Refractivity: 104.6193 cm^3
• Polarizability: 38.19215 Å^3
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.49
• LOG S: -5.2
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 5