N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(piperidin-1-yl)butanamide

• ChemBase ID: 501166
• Molecular Formular: C15H25N3OS
• Molecular Mass: 295.4435
• Monoisotopic Mass: 295.17183344
• SMILES: n1c(scc1C)CCNC(=O)CCCN1CCCCC1
• Canonical SMILES: O=C(NCCc1scc(n1)C)CCCN1CCCCC1
• InChI: InChI=1S/C15H25N3OS/c1-13-12-20-15(17-13)7-8-16-14(19)6-5-11-18-9-3-2-4-10-18/h12H,2-11H2,1H3,(H,16,19)
• InChIKey: UWVVYQJJSYKLRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(piperidin-1-yl)butanamide
• IUPAC Traditional name: N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(piperidin-1-yl)butanamide
• Synonyms: N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(1-piperidinyl)butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.700861
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1001182
• LogD (pH = 7.4): -0.8160537
• Log P: 1.2857416
• Molar Refractivity: 82.8269 cm^3
• Polarizability: 32.12714 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.24
• LOG S: -3.27
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 7