N-(2-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}ethyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide

• ChemBase ID: 767769
• Molecular Formular: C15H20N4O3S
• Molecular Mass: 336.4093
• Monoisotopic Mass: 336.12561152
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)NCCc1nc2c(s1)CCC2)C)C
• Canonical SMILES: O=C(CC1C(=O)N(C(=O)N1C)C)NCCc1sc2c(n1)CCC2
• InChI: InChI=1S/C15H20N4O3S/c1-18-10(14(21)19(2)15(18)22)8-12(20)16-7-6-13-17-9-4-3-5-11(9)23-13/h10H,3-8H2,1-2H3,(H,16,20)
• InChIKey: POBULRGNILZUGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}ethyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide
• IUPAC Traditional name: N-(2-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}ethyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide
• Synonyms: N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(1,3-dimethyl-2,5-dioxo-4-imidazolidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.177367
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.04750747
• LogD (pH = 7.4): 0.048293356
• Log P: 0.048303455
• Molar Refractivity: 84.3306 cm^3
• Polarizability: 32.34505 Å^3
• Polar Surface Area: 82.61 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.28
• LOG S: -2.72
• Polar Surface Area: 82.61 Å^2
• Rotatable Bonds: 5