A1L5T
Summary
| Name: | (7~{S})-2-azanyl-7-(4-fluorophenyl)-6,7-dihydro-4~{H}-[1,3]thiazolo[4,5-b]pyridin-5-one |
| Formula: | C12 H10 F N3 O S |
| Formal charge: | 0 |
| Formula weight: | 263.291 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (7~{S})-2-azanyl-7-(4-fluorophenyl)-6,7-dihydro-4~{H}-[1,3]thiazolo[4,5-b]pyridin-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H10FN3OS/c13-7-3-1-6(2-4-7)8-5-9(17)15-11-10(8)18-12(14)16-11/h1-4,8H,5H2,(H2,14,16)(H,15,17)/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | OFXLNTLGSXLVSA-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1sc2[C@@H](CC(=O)Nc2n1)c3ccc(F)cc3 |
| SMILES | CACTVS | 3.385 | Nc1sc2[CH](CC(=O)Nc2n1)c3ccc(F)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1[C@@H]2CC(=O)Nc3c2sc(n3)N)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C2CC(=O)Nc3c2sc(n3)N)F |
