2-[(4-Aminobutanoyl)Amino]-N-{4-[(3-Aminopropyl)Carbamoyl]-1,3-Thiazol-2-Yl}-1,3-Thiazole-4-Carboxamide

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Formula C15H21N7O3S2
IUPAC Name 2-(4-aminobutanoylamino)-n-[4-(3-aminopropylcarbamoyl)thiazol-2-yl]thiazole-4-carboxamide
Molecular Mass 411.502 g·mol−1
Heat of Formation -198.7 ± 16.7 kJ·mol−1
Dipole Moment 13.90 ± 1.08 D
Volume 471.24 Å 3
Surface Area 434.48 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.56 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(((2-((4-aminobutanoyl)amino)-1,3-thiazol-4-yl)carbonyl)amino)-n-(3-aminopropyl)-1,3-thiazole-4-carboxamide hydrobromide
  • 2-(4-aminobutanoylamino)-n-[4-(3-aminopropylcarbamoyl)thiazol-2-yl]thiazole-4-carboxamide
  • 2-[(4-amino-1-oxobutyl)amino]-n-[4-[(3-aminopropylamino)-oxomethyl]-2-thiazolyl]-4-thiazolecarboxamide
  • 4-thiazolecarboxamide, 2-((4-amino-1-oxobutyl)amino)-n-(4-(((3-aminopropyl)amino)carbonyl)-2-thiazolyl)-
  • thia-net
CAS Number(s)
  • 127942-31-8
InChIKey NOPYGMHKXXIDPJ-UHFFFAOYSA-N
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