2-(2-Ethylaminothiazol-5-oyl)benzothiazole has been synthesized and its bond length, bond angle, dihedral angle, HOMO-LUMO and Mulliken charges on the atoms have been calculated by density functional theory (DFT/B3LYP) method with 6-311++G(d,p) basis sets. Biological properties like the target receptor identification and identification of interacting residues, of this compound is identified and analyzed by using Openbabel GUI (C) software.

中文翻译：

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2-（2-乙基氨基噻唑-5-酰基）苯并噻唑的计算计算和分子对接研究

合成了2-（2-乙基氨基噻唑-5-酰基）苯并噻唑，并通过密度泛函理论（DFT / B3LYP）方法以6为基础计算了原子上的键长，键角，二面角，HOMO-LUMO和Mulliken电荷-311 ++ G（d，p）基集。通过使用Openbabel GUI（C）软件来识别和分析该化合物的生物学特性，如目标受体的鉴定和相互作用残基的鉴定。