2-(2-oxopyrrolidin-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide

• ChemBase ID: 582017
• Molecular Formular: C12H17N3O2S
• Molecular Mass: 267.34728
• Monoisotopic Mass: 267.1041478
• SMILES: N1(C(=O)CCC1)C(C(=O)NCCc1nccs1)C
• Canonical SMILES: O=C(C(N1CCCC1=O)C)NCCc1nccs1
• InChI: InChI=1S/C12H17N3O2S/c1-9(15-7-2-3-11(15)16)12(17)14-5-4-10-13-6-8-18-10/h6,8-9H,2-5,7H2,1H3,(H,14,17)
• InChIKey: GTPFQUAXDRRTSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-oxopyrrolidin-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide
• IUPAC Traditional name: 2-(2-oxopyrrolidin-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide
• Synonyms: 2-(2-oxo-1-pyrrolidinyl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.832244
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.19939144
• LogD (pH = 7.4): -0.199012
• Log P: -0.19900714
• Molar Refractivity: 68.2994 cm^3
• Polarizability: 26.43744 Å^3
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -0.17
• LOG S: -1.74
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 5