N-[4-(2-{4-[(Diaminomethylene)Amino]Phenyl}Ethyl)-1,3-Thiazol-2-Yl]Acetamide

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Properties Simple | Detailed

Formula C14H17N5OS
IUPAC Name n-[4-[2-(4-guanidinophenyl)ethyl]thiazol-2-yl]acetamide
Molecular Mass 303.383 g·mol−1
Heat of Formation 52.8 ± 16.7 kJ·mol−1
Dipole Moment 5.59 ± 1.08 D
Volume 365.69 Å 3
Surface Area 302.3 Å 2
HOMO Energy -8.14 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
Synonyms
  • n-[4-[2-(4-guanidinophenyl)ethyl]-2-thiazolyl]acetamide
  • n-[4-[2-(4-guanidinophenyl)ethyl]thiazol-2-yl]acetamide
  • n-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
  • n-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]-1,3-thiazol-2-yl]ethanamide
InChIKey LMDXCMJWFMSUAI-UHFFFAOYSA-N
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