Thiazole derivatives: Synthesis, characterization, biological and DFT studies

4-Mercaptopyridylthiazole derivatives were synthesized using simple and eco-friendly reaction conditions. The compounds were characterized by H-1 and C-13 NMR and mass spectroscopy. The compounds were tested for their biological activities. Methicillin-resistant Staphylococcus aureus, Bacillus Cereus, the Gram-negative bacteria, Escherichia coli and Serratia sp. Fungal pathogens Candida albicans were used as the test pathogens. Among the different tested compounds, 2-((2-(piperidin-1-yl)ethyl)thio)-4-(pyridin-4-yl)thiazole shows the best MIC value at 8 mg/L concentration for C. albicans showing 99.9% of cell death and the hemolytic activity against the human blood cells was 1% of lysis at 1 mg/mL concentration. Theoretical methods were used to complement and provide molecular insights to the experimental research for the compound (2-(((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methyl)thio)-4-(pyridin-4yl)thiazole). (C) 2022 Elsevier B.V. All rights reserved.