Abstract
The synthesis of N-hydroxy-, N-methoxy and N-ethoxybenzoyl derivatives of 5-methylthiazol-2-amine was carried out using the Schotten-Baumann reaction in two stages without isolating the intermediate acyl chloride (one-pot multicomponent synthesis) and conditions were optimized. Thin layer chromatography and nuclear magnetic resonance spectroscopy confirmed the purity and the structure of the compounds obtained. The spectrum of biological activity of compounds was assessed using PASS Online (Predictor of Activity Spectra for Substance). Using the ChemAxon online platform, theoretical calculations of physico-chemical parameters and descriptor values, such as CNS MPO multiparameter, describing the effect of substances on the CNS and cardiotoxicity, as activity against the hERG gene, were carried out. Analysis of the calculated data showed that all the studied substances are safe and will not have a negative effect on cardiac activity. The results of studies using PASS Online indicated that the synthesized new thiazole derivatives combine various types of activities and may turn out to be promising structures for experimental screening of the considered types of biological activities.
Published Version
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