5-Formylthiophene-2-carbonitrile
| Internal ID | 8747b039-2100-45cf-9c51-76078a988095 |
| Taxonomy | Organoheterocyclic compounds > Thiophenes > 2,5-disubstituted thiophenes |
| IUPAC Name | 5-formylthiophene-2-carbonitrile |
| SMILES (Canonical) | C1=C(SC(=C1)C#N)C=O |
| SMILES (Isomeric) | C1=C(SC(=C1)C#N)C=O |
| InChI | InChI=1S/C6H3NOS/c7-3-5-1-2-6(4-8)9-5/h1-2,4H |
| InChI Key | PZIFYWVUYHMYOA-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C6H3NOS |
| Molecular Weight | 137.16 g/mol |
| Exact Mass | 136.99353489 g/mol |
| Topological Polar Surface Area (TPSA) | 69.10 Ų |
| XlogP | 1.50 |
| 21512-16-3 |
| 5-Cyano-2-thiophene carbaldehyde |
| 5-Cyanothiophene-2-carboxaldehyde |
| 5-Cyano-2-thiophenecarboxaldehyde |
| MFCD09037804 |
| 2-Thiophenecarbonitrile, 5-formyl- |
| 5-Cyano-2-thiophenecarbaldehyde |
| 2-formyl-5-cyanothiophen |
| 2-cyano-5-formylthiophene |
| 2-formyl-5-cyanothiophene |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.57% | 95.56% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 90.49% | 96.12% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 89.39% | 85.30% |
| CHEMBL2487 | P05067 | Beta amyloid A4 protein | 89.34% | 96.74% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.33% | 96.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.13% | 91.49% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.71% | 93.40% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Capparis spinosa |
| PubChem | 12280004 |
| LOTUS | LTS0272656 |
| wikiData | Q82321827 |