EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H13FN2OS |
| Net Charge | 0 |
| Average Mass | 252.314 |
| Monoisotopic Mass | 252.07326 |
| SMILES | [H]c1c([H])c([H])c(N([H])C2=NC(=O)[C@@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])S2)c(F)c1[H] |
| InChI | InChI=1S/C12H13FN2OS/c1-7(2)10-11(16)15-12(17-10)14-9-6-4-3-5-8(9)13/h3-7,10H,1-2H3,(H,14,15,16)/t10-/m1/s1 |
| InChIKey | OJJBBNIYQKFZDK-SNVBAGLBSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one (CHEBI:49963) is a unclassifieds (CHEBI:27189) |
| Synonym | Source |
|---|---|
| (5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| ZMG | PDBeChem |