![N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]acetamide](/api/spectrum/Hg5LLE8o5QA/structure.png?h=300&w=458 "N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]acetamide")
| SpectraBase Compound ID | H9jLl9iK9ly |
|---|---|
| InChI | InChI=1S/C13H12N4OS/c1-8(18)15-13-17-16-12(19-13)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,14H,6H2,1H3,(H,15,17,18) |
| InChIKey | LEPPRRFECIWLPX-UHFFFAOYSA-N |
| Mol Weight | 272.33 g/mol |
| Molecular Formula | C13H12N4OS |
| Exact Mass | 272.073182 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hg5LLE8o5QA |
|---|---|
| Name | N-[5-(1H-Indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.073182195 u |
| Formula | C13H12N4OS |
| InChI | InChI=1S/C13H12N4OS/c1-8(18)15-13-17-16-12(19-13)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,14H,6H2,1H3,(H,15,17,18) |
| InChIKey | LEPPRRFECIWLPX-UHFFFAOYSA-N |
| Molecular Weight | 272.326 g/mol |
| SMILES | N1C2=C(C(CC=3SC(=NN3)NC(=O)C)=C1)C=CC=C2 |