SYNTHESIS AND INSILICO EVALUATION OF 2-(4-SUBSTITUTED BENZYLIDENE AMINO)-4 PHENYL 1,3 THIAZOLE DERIVATIVES”

  • Unique Paper ID: 201840
  • Volume: 12
  • Issue: 12
  • PageNo: 6402-6413
  • Abstract:
  • Thiazole derivatives are an important class of heterocyclic compounds known for their wide range of biological and pharmacological activities such as antimicrobial, anticancer, anti-inflammatory, antioxidant, and antiviral effects. In the present study, a series of 2-(4-substituted benzylidene amino)-4-phenyl-1,3-thiazole derivatives were synthesized and evaluated through in silico methods. The synthesis was carried out through a two-step reaction process involving the cyclization of acetophenone with thiourea in the presence of iodine to form 2-amino-4-phenyl thiazole, followed by condensation with different substituted aromatic aldehydes to obtain the final derivatives. The synthesized compounds were characterized by using melting point determination, thin layer chromatography (TLC), and FT-IR spectral analysis. The drug-likeness and molecular properties of the synthesized compounds were predicted using Molinspiration and SwissADME software tools. The results indicated that all the synthesized derivatives obeyed Lipinski’s rule of five, suggesting favorable pharmacokinetic properties and good oral bioavailability. Furthermore, molecular docking studies were performed using PyRx software to evaluate the binding affinity of the compounds with the target protein. Among the synthesized derivatives, compound 4 showed the highest binding affinity, indicating better interaction with the target site. Overall, the synthesized thiazole derivatives demonstrate promising drug-like properties and may serve as potential candidates for further medicinal chemistry studies

Copyright & License

Copyright © 2026 Authors retain the copyright of this article. This article 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.

BibTeX

@article{201840,
        author = {Dr.Saritha Karnati and J.SnehaLatha and M.Shanthipriya and M.Shriya and M.Vinay kumar and Y. Singaraiah},
        title = {SYNTHESIS AND INSILICO EVALUATION OF 2-(4-SUBSTITUTED BENZYLIDENE AMINO)-4 PHENYL 1,3 THIAZOLE DERIVATIVES”},
        journal = {International Journal of Innovative Research in Technology},
        year = {2026},
        volume = {12},
        number = {12},
        pages = {6402-6413},
        issn = {2349-6002},
        url = {https://ijirt.org/article?manuscript=201840},
        abstract = {Thiazole derivatives are an important class of heterocyclic compounds known for their wide range of biological and pharmacological activities such as antimicrobial, anticancer, anti-inflammatory, antioxidant, and antiviral effects. In the present study, a series of 2-(4-substituted benzylidene amino)-4-phenyl-1,3-thiazole derivatives were synthesized and evaluated through in silico methods. The synthesis was carried out through a two-step reaction process involving the cyclization of acetophenone with thiourea in the presence of iodine to form 2-amino-4-phenyl thiazole, followed by condensation with different substituted aromatic aldehydes to obtain the final derivatives. The synthesized compounds were characterized by using melting point determination, thin layer chromatography (TLC), and FT-IR spectral analysis. 
The drug-likeness and molecular properties of the synthesized compounds were predicted using Molinspiration and SwissADME software tools. The results indicated that all the synthesized derivatives obeyed Lipinski’s rule of five, suggesting favorable pharmacokinetic properties and good oral bioavailability. Furthermore, molecular docking studies were performed using PyRx software to evaluate the binding affinity of the compounds with the target protein. Among the synthesized derivatives, compound 4 showed the highest binding affinity, indicating better interaction with the target site. Overall, the synthesized thiazole derivatives demonstrate promising drug-like properties and may serve as potential candidates for further medicinal chemistry studies},
        keywords = {Thiazole derivatives, Molecular docking, Insilico evaluation, Molinspiration, SwissADME, PyRx, Drug-likeness, Lipinski’s rule of five.},
        month = {May},
        }

Cite This Article

Karnati, D., & J.SnehaLatha, , & M.Shanthipriya, , & M.Shriya, , & kumar, M., & Singaraiah, Y. (2026). SYNTHESIS AND INSILICO EVALUATION OF 2-(4-SUBSTITUTED BENZYLIDENE AMINO)-4 PHENYL 1,3 THIAZOLE DERIVATIVES”. International Journal of Innovative Research in Technology (IJIRT), 12(12), 6402–6413.

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