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Efficient Synthesis of New Fused Thiadiazines and Their Spectroscopic, In Silico Drug Likeness, and ADME Properties

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Abstract

A series of novel fused thiadiazine derivatives have been simply synthesized through the reaction of hydrazinecarbodithioic acid with various cyclic anhydrides, followed by condensation with oxalyl chloride or chloroacetic acid derivatives. The structures of the synthesized compounds were characterized by spectroscopic and analytical measurements. The reaction conditions were optimized in terms of yield and reaction time using different reagents and bases. In silico prediction of the physicochemical properties, ADME parameters, and drug likeness of all synthesized compounds showed that most of them could be considered as drug-like candidates with a high potential for bioactivity.

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Authors and Affiliations

  1. Department of Chemistry, College of Science, Qassim University, 51452, Buraydah, Saudi Arabia

    M. A. Alshubramy & M. Abdel-Motaal

  2. College of Engineering and Information Technology, Onaizah Colleges, 56447, Al-Qassim, Saudi Arabia

    M. Asem

  3. Chemistry Department, Faculty of Science, Mansoura University, 35516, Mansoura, Egypt

    M. Abdel-Motaal

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  1. M. A. Alshubramy
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  3. M. Abdel-Motaal
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Correspondence to M. Abdel-Motaal.

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Alshubramy, M.A., Asem, M. & Abdel-Motaal, M. Efficient Synthesis of New Fused Thiadiazines and Their Spectroscopic, In Silico Drug Likeness, and ADME Properties. Russ J Org Chem 58, 619–627 (2022). https://doi.org/10.1134/S1070428022040224

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  • DOI: https://doi.org/10.1134/S1070428022040224

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