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

• ChemBase ID: 603937
• Molecular Formular: C14H14N4O3S2
• Molecular Mass: 350.41596
• Monoisotopic Mass: 350.05073233
• SMILES: N1C(=O)NC(C1=O)CCC(=O)NCc1nc(sc1)c1sccc1
• Canonical SMILES: O=C(NCc1csc(n1)c1cccs1)CCC1NC(=O)NC1=O
• InChI: InChI=1S/C14H14N4O3S2/c19-11(4-3-9-12(20)18-14(21)17-9)15-6-8-7-23-13(16-8)10-2-1-5-22-10/h1-2,5,7,9H,3-4,6H2,(H,15,19)(H2,17,18,20,21)
• InChIKey: CPSLKBQJFAIKMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.634868
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.44872472
• LogD (pH = 7.4): 0.44628963
• Log P: 0.4487826
• Molar Refractivity: 94.3396 cm^3
• Polarizability: 32.98794 Å^3
• Polar Surface Area: 100.19 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.01
• LOG S: -3.07
• Polar Surface Area: 100.19 Å^2
• Rotatable Bonds: 6