1-(4-Methoxybenzyl)-3-(5-Nitro-1,3-Thiazol-2-Yl)Urea

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Properties Simple | Detailed

Formula C12H12N4O4S
IUPAC Name 1-[(4-methoxyphenyl)methyl]-3-(5-nitrothiazol-3-ium-5-id-2-yl)urea
Molecular Mass 308.313 g·mol−1
Heat of Formation -123.1 ± 16.7 kJ·mol−1
Dipole Moment 5.05 ± 1.08 D
Volume 336.24 Å 3
Surface Area 314.84 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 1.18 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea
  • 1-[(4-methoxyphenyl)methyl]-3-(5-nitro-1,3-thiazol-2-yl)urea
  • 1-[(4-methoxyphenyl)methyl]-3-(5-nitro-2-thiazolyl)urea
  • ar-a014418
  • gsk-3beta inhibitor viii
  • hsci1_000278
  • insolution™ gsk-3beta inhibitor viii
  • n-(4-methoxybenzyl)-n′-(5-nitro-1,3-thiazol-2-yl)urea
  • n-(4-methoxybenzyl)-n'-(5-nitro-1,3-thiazol-2-yl)urea
InChIKey YAEMHJKFIIIULI-UHFFFAOYSA-N
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