3-(2,5-dioxoimidazolidin-4-yl)-N-{2-[2-(pyrimidin-2-yl)-1,3-thiazol-4-yl]ethyl}propanamide

• ChemBase ID: 790953
• Molecular Formular: C15H16N6O3S
• Molecular Mass: 360.39094
• Monoisotopic Mass: 360.1004594
• SMILES: N1C(=O)NC(C1=O)CCC(=O)NCCc1nc(sc1)c1ncccn1
• Canonical SMILES: O=C(CCC1NC(=O)NC1=O)NCCc1csc(n1)c1ncccn1
• InChI: InChI=1S/C15H16N6O3S/c22-11(3-2-10-13(23)21-15(24)20-10)16-7-4-9-8-25-14(19-9)12-17-5-1-6-18-12/h1,5-6,8,10H,2-4,7H2,(H,16,22)(H2,20,21,23,24)
• InChIKey: VTPKARRDETXBGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,5-dioxoimidazolidin-4-yl)-N-{2-[2-(pyrimidin-2-yl)-1,3-thiazol-4-yl]ethyl}propanamide
• IUPAC Traditional name: 3-(2,5-dioxoimidazolidin-4-yl)-N-{2-[2-(pyrimidin-2-yl)-1,3-thiazol-4-yl]ethyl}propanamide
• Synonyms: 3-(2,5-dioxo-4-imidazolidinyl)-N-{2-[2-(2-pyrimidinyl)-1,3-thiazol-4-yl]ethyl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.6333
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): -0.20183314
• LogD (pH = 7.4): -0.20431013
• Log P: -0.20180142
• Molar Refractivity: 109.0883 cm^3
• Polarizability: 33.750385 Å^3
• Polar Surface Area: 125.97 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 3
• Log P: -1.39
• LOG S: -1.95
• Polar Surface Area: 125.97 Å^2
• Rotatable Bonds: 7