Synthesis, molecular modeling and bioactivity of new bis-thiazole, thiazole-pyrazole, and thiazole-pyridine analogues

Autor: Abrar Bayazeed, Rua B. Alnoman, Kahdr Alatawi, Omar M. Alatawi, Alaa M. Alqahtani, Mariam Mojally, Noof A. Alenazi, Nashwa M. El-Metwaly
Jazyk: angličtina
Rok vydání: 2023
Předmět:
Zdroj: Journal of Saudi Chemical Society, Vol 27, Iss 6, Pp 101754- (2023)
Druh dokumentu: article
ISSN: 1319-6103
DOI: 10.1016/j.jscs.2023.101754
Popis: Several new thiazole derivatives linked pyrazole and/or pyridine rings were synthesized based on the versatile precursor 2-(5-acetyl-4-methyl-3-phenylthiazol-2(3H)-ylidene)acetonitrile (1). The synthesized derivatives were optimized using DFT approach in order to inspect the configurations and energies of the HOMO-LUMO orbitals. The data disclosed low energy gap (ΔEH-L), 0.99–2.54 eV, following the order 9
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