N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

• ChemBase ID: 462454
• Molecular Formular: C11H13N5O2S
• Molecular Mass: 279.31822
• Monoisotopic Mass: 279.07899568
• SMILES: c1(nc2n(c1)ccs2)C(=O)NCCN1C(=O)NCC1
• Canonical SMILES: C(NC(=O)c1cn2c(n1)scc2)CN1CCNC1=O
• InChI: InChI=1S/C11H13N5O2S/c17-9(8-7-16-5-6-19-11(16)14-8)12-1-3-15-4-2-13-10(15)18/h5-7H,1-4H2,(H,12,17)(H,13,18)
• InChIKey: MQRNTZOMTDBKCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
• IUPAC Traditional name: N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
• Synonyms: N-[2-(2-oxo-1-imidazolidinyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.245689
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.7824703
• LogD (pH = 7.4): -0.78243905
• Log P: -0.7824381
• Molar Refractivity: 81.0102 cm^3
• Polarizability: 25.803621 Å^3
• Polar Surface Area: 78.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.01
• LOG S: -2.1
• Polar Surface Area: 78.74 Å^2
• Rotatable Bonds: 4