(2S)-1,3-Benzothiazol-2-Yl(2-{[2-(3-Pyridinyl)Ethyl]Amino}-4-Pyrimidinyl)Acetonitrile

Molecule SVG Image

Properties Simple | Detailed

Formula C20H16N6S
IUPAC Name (2s)-2-(1,3-benzothiazol-2-yl)-2-[2-[2-(3-pyridyl)ethylamino]pyrimidin-4-yl]acetonitrile
Molecular Mass 372.446 g·mol−1
Heat of Formation 626.2 ± 16.7 kJ·mol−1
Dipole Moment 6.01 ± 1.08 D
Volume 435.28 Å 3
Surface Area 393.53 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 0.90 ± eV
Point Group Symmetry C1
InChIKey RCYPVQCPYKNSTG-OAHLLOKOSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S N