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

• ChemBase ID: 607947
• Molecular Formular: C11H15N5O3S
• Molecular Mass: 297.3335
• Monoisotopic Mass: 297.08956037
• SMILES: N1C(=O)NC(C1=O)CCC(=O)NCc1nnc(s1)CC
• Canonical SMILES: CCc1nnc(s1)CNC(=O)CCC1NC(=O)NC1=O
• InChI: InChI=1S/C11H15N5O3S/c1-2-8-15-16-9(20-8)5-12-7(17)4-3-6-10(18)14-11(19)13-6/h6H,2-5H2,1H3,(H,12,17)(H2,13,14,18,19)
• InChIKey: IFYCCUZTHUNJRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.617865
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -1.4216218
• LogD (pH = 7.4): -1.424179
• Log P: -1.4215872
• Molar Refractivity: 71.3877 cm^3
• Polarizability: 26.87225 Å^3
• Polar Surface Area: 113.08 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: -1.92
• LOG S: -1.04
• Polar Surface Area: 113.08 Å^2
• Rotatable Bonds: 6