Thiazole derivatives: Synthesis, characterization, biological and DFT studies

• Published in: Journal of molecular structure Vol. 1255; p. 132374
• Main Authors: Rajagopal, Karthik, Dhandayutham, Saravanan, Nandhagopal, Manivannan, Narayanasamy, Mathivanan, I Elzagheid, Mohamed, Rhyman, Lydia, Ramasami, Ponnadurai
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 05.05.2022
• Subjects: 4-Mercapto thiazole; Mass spectrometry; MRSA; NMR and DFT; Single crystal X-ray; Single crystal X-ray; NMR and DFT; Mass spectrometry; MRSA; 4-Mercapto thiazole
• ISSN: 0022-2860; 1872-8014
• DOI: 10.1016/j.molstruc.2022.132374

•Eight thiazole derivatives were synthesized.•The derivatives were characterized by NMR, IR, mass spectrometry and X-ray.•Their antimicrobial activities were also examined.•The experimental study was complemented with computational methods. 4-Mercaptopyridylthiazole derivatives were synthesized using simple and eco-friendly reaction conditions. The compounds were characterized by 1H and 13C 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-4-yl)thiazole). [Display omitted]