Melting Point Correlation of Some of the Derivatives of 2-Aminobenzothiazol

2-aminobenzotiazol and some of its synthesized derivatives were selected and optimized using Gaussian software by density functional method at B3LYP/6-31G** level of theory. Also it was developed by using of structural descriptors in multiple linear regressions to review quantitative relation of activity structure to predict the melting point of 2-aminobenzotiazol derivatives. Descriptors were calculated by using Dragon software. The correlation equation contains 8 descriptors. Root mean square error (RMSE), correlation coefficient (R2) and p-value are 12.91, 0.768 and 0.0144, respectively. Results indicated that among selected descriptors, mean atomic Vander Waals volume (MV) have more influence on melting point and it causes increasing the melting point.