1-cyclopentyl-N-methyl-5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide

• ChemBase ID: 557908
• Molecular Formular: C15H21N3O2S
• Molecular Mass: 307.41114
• Monoisotopic Mass: 307.13544793
• SMILES: N1(C(=O)CC(C(=O)N(Cc2nccs2)C)C1)C1CCCC1
• Canonical SMILES: O=C(N(Cc1nccs1)C)C1CC(=O)N(C1)C1CCCC1
• InChI: InChI=1S/C15H21N3O2S/c1-17(10-13-16-6-7-21-13)15(20)11-8-14(19)18(9-11)12-4-2-3-5-12/h6-7,11-12H,2-5,8-10H2,1H3
• InChIKey: RZBGEHBOVHDTBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-N-methyl-5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
• IUPAC Traditional name: 1-cyclopentyl-N-methyl-5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
• Synonyms: 1-cyclopentyl-N-methyl-5-oxo-N-(1,3-thiazol-2-ylmethyl)-3-pyrrolidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.47406864
• LogD (pH = 7.4): 0.47426003
• Log P: 0.47426248
• Molar Refractivity: 80.4173 cm^3
• Polarizability: 31.213282 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.0
• LOG S: -2.3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 4