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Journal of Chemistry
Volume 2017 (2017), Article ID 4102796, 11 pages
https://doi.org/10.1155/2017/4102796
Research Article

Novel Thiazole Derivatives of Medicinal Potential: Synthesis and Modeling

Department of Chemistry, Organic Labs, and Computational Chemistry Lab, Faculty of Science, Ain Shams University, Abbasiya, Cairo 11566, Egypt

Correspondence should be addressed to Nour E. A. Abdel-Sattar

Received 17 March 2017; Revised 18 May 2017; Accepted 4 June 2017; Published 24 July 2017

Academic Editor: Pedro M. Mancini

Copyright © 2017 Nour E. A. Abdel-Sattar et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

This paper reports on the synthesis of new thiazole derivatives that could be profitably exploited in medical treatment of tumors. Molecular electronic structures have been modeled within density function theory (DFT) framework. Reactivity indices obtained from the frontier orbital energies as well as electrostatic potential energy maps are discussed and correlated with the molecular structure. X-ray crystallographic data of one of the new compounds is measured and used to support and verify the theoretical results.