Tautomerism of (3-Phenyl-allyl-) (5-pyridin-2-yl-[1,3,4]thiadiazol-2-yl) amine

Leokadia Strzemecka

Department of Organic Chemistry, Faculty of Pharmacy, Medical Academy of Lublin, Staszica 6, 20-081 Lublin, Poland
E-mail: leokadia.strzemecka@am.lublin.pl

Abstract
The radical and ionic structures of (3-phenyl-allyl-) (5-pyridin-2-yl-[1,3,4] thiadiazol-2-yl)-amine 2A(I) 2A(I) 2A(I)a, 2A(II) 2A(II) 2A(II)a have been determined by means of its 1H (100 MHz, 500 MHz) 13C and 15N NMR spectra and B3LYP/6-31G** computations. The tautomeric equilibrium of 2A(I)2B, 2A(II)2C(II) has been observed in the 1H NMR spectra (100 MHz)

Keywords: (3-phenyl-allyl-) (5-pyridin-2-yl-[1,3,4] thiadiazol-2-yl)-amine; electronic structure, tautomerism