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Reaction parameters including solvent, base, and temperature are systematically optimized and very good results are obtained in the environmentally friendly reaction media composed of water and ethanol, under mild conditions of temperature (40\u2009\u00b0C). The reaction is very versatile and allows for the introduction of a wide variety of functional groups. All the new compounds are submitted to in\u2009silico evaluation of their drug potential using the SWISS\u2010ADME tool. Several compounds of both families did not violate any drug likeness rules, making them potential candidates for further evaluation of their biological activity and structural optimization.<\/jats:p>","DOI":"10.1002\/cplu.202500516","type":"journal-article","created":{"date-parts":[[2025,10,16]],"date-time":"2025-10-16T19:35:15Z","timestamp":1760643315000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Thiocarbamoylimidates as Precursors of New 5\u2010Amino\u20101,2,4\u2010Triazole and Oxadiazole Derivatives In\u2009Silico Prediction of Absorption, Distribution, Metabolism, and Excretion Parameters"],"prefix":"10.1002","volume":"90","author":[{"given":"Oumaima","family":"Gatri","sequence":"first","affiliation":[{"name":"Laboratoire de synth\u00e8se organique et h\u00e9t\u00e9rocyclique s\u00e9lective \u2010 Evaluation d\u2019activit\u00e9 biologique SOHES.LR17ES01 Universit\u00e9 de Tunis El Manar Facult\u00e9 des Sciences de Tunis  Tunis 2092 Tunisia"},{"name":"Univ Rennes CNRS ISCR (Institut des Sciences Chimiques de Rennes) \u2010 UMR6226  Rennes 35000 France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Thierry","family":"Roisnel","sequence":"additional","affiliation":[{"name":"Univ Rennes CNRS ISCR (Institut des Sciences Chimiques de Rennes) \u2010 UMR6226  Rennes 35000 France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Marie","family":"Cordier","sequence":"additional","affiliation":[{"name":"Univ Rennes CNRS ISCR (Institut des Sciences Chimiques de Rennes) \u2010 UMR6226  Rennes 35000 France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Vincent","family":"Dorcet","sequence":"additional","affiliation":[{"name":"Univ Rennes CNRS ISCR (Institut des Sciences Chimiques de Rennes) \u2010 UMR6226  Rennes 35000 France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6950-0519","authenticated-orcid":false,"given":"Mohamed Lotfi","family":"Efrit","sequence":"additional","affiliation":[{"name":"Laboratoire de synth\u00e8se organique et h\u00e9t\u00e9rocyclique s\u00e9lective \u2010 Evaluation d\u2019activit\u00e9 biologique SOHES.LR17ES01 Universit\u00e9 de Tunis El Manar Facult\u00e9 des Sciences de Tunis  Tunis 2092 Tunisia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9490-8145","authenticated-orcid":false,"given":"C\u00e9dric","family":"Fischmeister","sequence":"additional","affiliation":[{"name":"Univ Rennes CNRS ISCR (Institut des Sciences Chimiques de Rennes) \u2010 UMR6226  Rennes 35000 France"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2025,10,16]]},"reference":[{"key":"e_1_2_7_2_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.joc.1c01753"},{"key":"e_1_2_7_3_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jnatprod.9b01285"},{"key":"e_1_2_7_4_1","doi-asserted-by":"publisher","DOI":"10.3390\/ijms25179503"},{"key":"e_1_2_7_5_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jafc.2c00965"},{"key":"e_1_2_7_6_1","first-page":"555986","volume":"16","author":"Harbi E. 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