2-{2-[1-(2-propyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]-1H-imidazol-1-yl}acetamide

• ChemBase ID: 766472
• Molecular Formular: C17H23N5O2S
• Molecular Mass: 361.46182
• Monoisotopic Mass: 361.157246
• SMILES: c1(nc(sc1)CCC)C(=O)N1CC(c2n(CC(=O)N)ccn2)CCC1
• Canonical SMILES: CCCc1scc(n1)C(=O)N1CCCC(C1)c1nccn1CC(=O)N
• InChI: InChI=1S/C17H23N5O2S/c1-2-4-15-20-13(11-25-15)17(24)22-7-3-5-12(9-22)16-19-6-8-21(16)10-14(18)23/h6,8,11-12H,2-5,7,9-10H2,1H3,(H2,18,23)
• InChIKey: YILSIJSKNBGYED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[1-(2-propyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]-1H-imidazol-1-yl}acetamide
• IUPAC Traditional name: 2-{2-[1-(2-propyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]imidazol-1-yl}acetamide
• Synonyms: 2-(2-{1-[(2-propyl-1,3-thiazol-4-yl)carbonyl]-3-piperidinyl}-1H-imidazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.241726
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.27948898
• LogD (pH = 7.4): 0.88434523
• Log P: 0.90897167
• Molar Refractivity: 95.276 cm^3
• Polarizability: 36.244526 Å^3
• Polar Surface Area: 94.11 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: -0.74
• LOG S: -2.51
• Polar Surface Area: 94.11 Å^2
• Rotatable Bonds: 6