Novel 2-amino-1,3,4-thiadiazoles and their acyl derivatives: Synthesis, structural characterization, molecular docking studies and comparison of experimental and computational results
Yazarlar (4)
Mustafa Er Karabük Üniversitesi, Türkiye
Gamze Işıldak Karabük Üniversitesi, Türkiye
Hakan Tahtacı Karabük Üniversitesi, Türkiye
Prof. Dr. Tuncay KARAKURT Kırşehir Ahi Evran Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Molecular Structure | ||
| Dergi ISSN | 0022-2860 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 04-2016 |
| Kabul Tarihi | 12-04-2026 | Yayınlanma Tarihi | – |
| Cilt / Sayı / Sayfa | 1110 / 1 / 102–113 | DOI | 10.1016/j.molstruc.2016.01.045 |
| Makale Linki | https://linkinghub.elsevier.com/retrieve/pii/S002228601630045X | ||
| Özet |
| This study aims to synthesize and characterize compounds containing 2-amino-1,3,4-thiadiazole and compare experimental results to theoretical results. For this purpose, firstly mono, di and tetra 2-amino-1,3,4-thiadiazole compounds (2a–c, 14, 20 and 25) were synthesized in relatively high yields (74–87%). The target compounds (3–11, 15–17, 21–23 and 26–28) were then synthesized in moderate to high yields (65–85%) from the reactions of 2-amino-1,3,4-thiadiazole compounds with various acyl chloride derivatives.The structures of all synthesized compounds were elucidated by IR, 1H NMR, 13C NMR, elemental analyses and mass spectroscopy techniques. The structures of 2b (C9H8N4O2S) and 2c (C11H13N3O2S) were also elucidated by X-ray diffraction analysis.Lastly, IR spectrum, 1H NMR and 13C NMR chemical shift values, frontier molecular orbital (FMO) values of these molecules containing … |
| Anahtar Kelimeler |
| 2-amino-1,3,4-thiadiazole | B3LYP | Crystal structure | NMR |
Science Direct
Novel 2-amino-1,3,4-thiadiazoles and their acyl derivatives: Synthesis, structural characterization, molecular docking studies and comparison of experimental and computational results
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Google Scholar | 41 |
| Scopus | 7 |
| Web of Science | 24 |