N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide

• ChemBase ID: 338843
• Molecular Formular: C11H15N5O3S
• Molecular Mass: 297.3335
• Monoisotopic Mass: 297.08956037
• SMILES: N1(C(=O)NCC1=O)CC(=O)NCCCc1nc(sc1)N
• Canonical SMILES: O=C(CN1C(=O)CNC1=O)NCCCc1csc(n1)N
• InChI: InChI=1S/C11H15N5O3S/c12-10-15-7(6-20-10)2-1-3-13-8(17)5-16-9(18)4-14-11(16)19/h6H,1-5H2,(H2,12,15)(H,13,17)(H,14,19)
• InChIKey: VHUOGKYFANUCLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
• IUPAC Traditional name: N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
• Synonyms: N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(2,5-dioxo-1-imidazolidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.74786
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -1.5483707
• LogD (pH = 7.4): -1.4869572
• Log P: -1.4860919
• Molar Refractivity: 71.6732 cm^3
• Polarizability: 27.083796 Å^3
• Polar Surface Area: 117.42 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: -1.63
• LOG S: -1.29
• Polar Surface Area: 117.42 Å^2
• Rotatable Bonds: 6