2-(Benzothiazol-6-Ylamino)-4-(Indan-5-Ylamino)Pyrimidine

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Properties Simple | Detailed

Formula C20H17N5S
IUPAC Name n2-(1,3-benzothiazol-6-yl)-n4-indan-5-yl-pyrimidine-2,4-diamine
Molecular Mass 359.447 g·mol−1
Heat of Formation 458.1 ± 16.7 kJ·mol−1
Dipole Moment 3.88 ± 1.08 D
Volume 417.29 Å 3
Surface Area 358.03 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[benzothiazol-6-ylamino]-4-[indan-5-ylamino]-pyrimidine hydrochloride
  • [2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]-indan-5-yl-amine
  • n-(1,3-benzothiazol-6-yl)-n'-(2,3-dihydro-1h-inden-5-yl)pyrimidine-2,4-diamine
  • n-(1,3-benzothiazol-6-yl)-n'-(5-indanyl)pyrimidine-2,4-diamine
  • n-(1,3-benzothiazol-6-yl)-n'-indan-5-yl-pyrimidine-2,4-diamine
InChIKey WDPAZIDBJLCQQP-UHFFFAOYSA-N
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