1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

• ChemBase ID: 837827
• Molecular Formular: C19H24N4O2S
• Molecular Mass: 372.48446
• Monoisotopic Mass: 372.16199703
• SMILES: N1(C(=O)CCc2c(ncs2)C)CCC(C(=O)NCc2ncccc2)CC1
• Canonical SMILES: O=C(C1CCN(CC1)C(=O)CCc1scnc1C)NCc1ccccn1
• InChI: InChI=1S/C19H24N4O2S/c1-14-17(26-13-22-14)5-6-18(24)23-10-7-15(8-11-23)19(25)21-12-16-4-2-3-9-20-16/h2-4,9,13,15H,5-8,10-12H2,1H3,(H,21,25)
• InChIKey: WUARQMSYHVZFEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
• IUPAC Traditional name: 1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
• Synonyms: 1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.007798
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.6783755
• LogD (pH = 7.4): 0.6964557
• Log P: 0.69669133
• Molar Refractivity: 100.3545 cm^3
• Polarizability: 38.685513 Å^3
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.15
• LOG S: -2.05
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 6