4-(4-ethyl-2-methyl-1,3-thiazole-5-amido)-N-phenylpiperidine-1-carboxamide

• ChemBase ID: 451773
• Molecular Formular: C19H24N4O2S
• Molecular Mass: 372.48446
• Monoisotopic Mass: 372.16199703
• SMILES: c1(c(nc(s1)C)CC)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1
• Canonical SMILES: CCc1nc(sc1C(=O)NC1CCN(CC1)C(=O)Nc1ccccc1)C
• InChI: InChI=1S/C19H24N4O2S/c1-3-16-17(26-13(2)20-16)18(24)21-15-9-11-23(12-10-15)19(25)22-14-7-5-4-6-8-14/h4-8,15H,3,9-12H2,1-2H3,(H,21,24)(H,22,25)
• InChIKey: LTYNAJAVNWQJGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-ethyl-2-methyl-1,3-thiazole-5-amido)-N-phenylpiperidine-1-carboxamide
• IUPAC Traditional name: 4-(4-ethyl-2-methyl-1,3-thiazole-5-amido)-N-phenylpiperidine-1-carboxamide
• Synonyms: 4-{[(4-ethyl-2-methyl-1,3-thiazol-5-yl)carbonyl]amino}-N-phenylpiperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.323304
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.9550842
• LogD (pH = 7.4): 1.9551631
• Log P: 1.9551646
• Molar Refractivity: 103.5388 cm^3
• Polarizability: 38.59178 Å^3
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.92
• LOG S: -3.56
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 4