1-cyclopentyl-N-[3-(dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide

• ChemBase ID: 370349
• Molecular Formular: C18H27N3O2S
• Molecular Mass: 349.49088
• Monoisotopic Mass: 349.18239812
• SMILES: N1(C(=O)CC(C1)C(=O)NCCCc1nc(c(s1)C)C)C1CCCC1
• Canonical SMILES: O=C(C1CN(C(=O)C1)C1CCCC1)NCCCc1sc(c(n1)C)C
• InChI: InChI=1S/C18H27N3O2S/c1-12-13(2)24-16(20-12)8-5-9-19-18(23)14-10-17(22)21(11-14)15-6-3-4-7-15/h14-15H,3-11H2,1-2H3,(H,19,23)
• InChIKey: OGBDTGLEJZRHJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-N-[3-(dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide
• IUPAC Traditional name: 1-cyclopentyl-N-[3-(dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide
• Synonyms: 1-cyclopentyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxo-3-pyrrolidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.566112
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.552254
• LogD (pH = 7.4): 1.5534757
• Log P: 1.5534914
• Molar Refractivity: 94.6228 cm^3
• Polarizability: 36.553318 Å^3
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.0
• LOG S: -3.46
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 6