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Synthesis and Quantum Chemical Studies on the Tautomeric Structures of New Thiazole and Thiadiazine Derivatives

[ Vol. 13 , Issue. 6 ]

Author(s):

Sobhi M. Gomha, Fatma A. A. El-Hag, Ahmed M. El Defrawy and Thoraya A. Farghaly   Pages 907 - 916 ( 10 )

Abstract:


New series of thiazoles and thiadiazines incorporated with pyrazole ring were synthesized via the reaction of 2-(1-(4-cyano-1,5-diphenyl-1H-pyrazol-3-yl)ethylidene) hydrazine-carbothioamide or 4-imino-7-methyl- 2,3-diphenyl-2H-pyrazolo[3,4-d]pyridazine-5(4H)-carbothiohydrazide with different reagents. The structures of all tautomeric forms of the newly synthesized compounds were confirmed on the basis of spectral data aided with DFT and semi-empirical calculations.

Keywords:

Thiazoles, thiadiazines, tautomeric structure, DFT.

Affiliation:

Department of Chemistry, Faculty of Science, Cairo University, Giza 12613, Egypt.

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