2-(2,5-dioxoimidazolidin-1-yl)-N-(1-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)acetamide

• ChemBase ID: 571154
• Molecular Formular: C12H13N5O3S
• Molecular Mass: 307.32832
• Monoisotopic Mass: 307.0739103
• SMILES: N1(C(=O)NCC1=O)CC(=O)NC(c1nc2n(c1)ccs2)C
• Canonical SMILES: O=C(NC(c1nc2n(c1)ccs2)C)CN1C(=O)CNC1=O
• InChI: InChI=1S/C12H13N5O3S/c1-7(8-5-16-2-3-21-12(16)15-8)14-9(18)6-17-10(19)4-13-11(17)20/h2-3,5,7H,4,6H2,1H3,(H,13,20)(H,14,18)
• InChIKey: RPATUTLPGCBTGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dioxoimidazolidin-1-yl)-N-(1-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)acetamide
• IUPAC Traditional name: 2-(2,5-dioxoimidazolidin-1-yl)-N-(1-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)acetamide
• Synonyms: 2-(2,5-dioxo-1-imidazolidinyl)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.643387
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.145628
• LogD (pH = 7.4): -1.137246
• Log P: -1.1371135
• Molar Refractivity: 84.785 cm^3
• Polarizability: 27.965395 Å^3
• Polar Surface Area: 95.81 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.12
• LOG S: -2.65
• Polar Surface Area: 95.81 Å^2
• Rotatable Bonds: 4