N3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1,3-dicarboxamide

• ChemBase ID: 392392
• Molecular Formular: C14H22N4O2S
• Molecular Mass: 310.41508
• Monoisotopic Mass: 310.14634696
• SMILES: N1(C(=O)N)CC(C(=O)NCCCc2nc(cs2)C)CCC1
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)N)NCCCc1scc(n1)C
• InChI: InChI=1S/C14H22N4O2S/c1-10-9-21-12(17-10)5-2-6-16-13(19)11-4-3-7-18(8-11)14(15)20/h9,11H,2-8H2,1H3,(H2,15,20)(H,16,19)
• InChIKey: GGDPLOQGVYYGBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1,3-dicarboxamide
• IUPAC Traditional name: N3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1,3-dicarboxamide
• Synonyms: N~3~-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-piperidinedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.228978
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.1575612
• LogD (pH = 7.4): -0.15725759
• Log P: -0.15725371
• Molar Refractivity: 81.0767 cm^3
• Polarizability: 31.171833 Å^3
• Polar Surface Area: 88.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -0.37
• LOG S: -2.46
• Polar Surface Area: 88.32 Å^2
• Rotatable Bonds: 5