EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H16N2OS |
| Net Charge | 0 |
| Average Mass | 248.351 |
| Monoisotopic Mass | 248.09833 |
| SMILES | Cc1ccc2nc(NC(=O)C(C)(C)C)sc2c1 |
| InChI | InChI=1S/C13H16N2OS/c1-8-5-6-9-10(7-8)17-12(14-9)15-11(16)13(2,3)4/h5-7H,1-4H3,(H,14,15,16) |
| InChIKey | JJSOSKRBXNHEPE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2,2-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide (CHEBI:125242) is a benzothiazoles (CHEBI:37947) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36710 | LINCS |