Thiazole derivatives have been synthesized and evaluated for their biological activities. The compounds were characterized by various spectroscopic techniques, including IR, 1H-NMR, and mass spectrometry. The synthesized compounds showed potent anti-fungal and anti-bacterial activities against several strains of fungi and bacteria. Molecular modeling studies were performed to investigate the binding interactions of the compounds with their target enzymes. The results showed promising binding affinities and provided insights into the potential mechanism of action of the compounds. The spectroscopic data confirmed the presence of the thiazole ring and the functional groups attached to it. Overall, the synthesized thiazole derivatives have shown promising biological activities and molecular interactions, and could be further optimized for drug development purposes.