![Acetamide, N-[5-[[4-(acetylamino)phenyl]methyl]-1,3,4-thiadiazol-2-yl]-](/api/spectrum/HDQqB5frywc/structure.png?h=300&w=458 "Acetamide, N-[5-[[4-(acetylamino)phenyl]methyl]-1,3,4-thiadiazol-2-yl]-")
| SpectraBase Compound ID | BmmG875KUIr |
|---|---|
| InChI | InChI=1S/C13H14N4O2S/c1-8(18)14-11-5-3-10(4-6-11)7-12-16-17-13(20-12)15-9(2)19/h3-6H,7H2,1-2H3,(H,14,18)(H,15,17,19) |
| InChIKey | KULQWIXFRITCNG-UHFFFAOYSA-N |
| Mol Weight | 290.34 g/mol |
| Molecular Formula | C13H14N4O2S |
| Exact Mass | 290.083747 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HDQqB5frywc |
|---|---|
| Name | Acetamide, N-[5-[[4-(acetylamino)phenyl]methyl]-1,3,4-thiadiazol-2-yl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.083746879 u |
| Formula | C13H14N4O2S |
| InChI | InChI=1S/C13H14N4O2S/c1-8(18)14-11-5-3-10(4-6-11)7-12-16-17-13(20-12)15-9(2)19/h3-6H,7H2,1-2H3,(H,14,18)(H,15,17,19) |
| InChIKey | KULQWIXFRITCNG-UHFFFAOYSA-N |
| SMILES | C1=CC(NC(=O)C)=CC=C1CC=1SC(NC(C)=O)=NN1 |