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

• ChemBase ID: 323799
• Molecular Formular: C13H18N4O3S
• Molecular Mass: 310.37202
• Monoisotopic Mass: 310.10996146
• SMILES: N1C(=O)NC(C1=O)CCC(=O)NCc1sc(nc1CC)C
• Canonical SMILES: CCc1nc(sc1CNC(=O)CCC1NC(=O)NC1=O)C
• InChI: InChI=1S/C13H18N4O3S/c1-3-8-10(21-7(2)15-8)6-14-11(18)5-4-9-12(19)17-13(20)16-9/h9H,3-6H2,1-2H3,(H,14,18)(H2,16,17,19,20)
• InChIKey: MFMMNMMALAWYDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.632648
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.34859562
• LogD (pH = 7.4): -0.34972003
• Log P: -0.3471974
• Molar Refractivity: 76.3135 cm^3
• Polarizability: 29.404789 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: -0.74
• LOG S: -2.14
• Polar Surface Area: 100.19 Å^2
• Rotatable Bonds: 6