0WA
Summary
| Name: | 4-fluoro-2-{[4-(pyridin-4-yl)-1,3-thiazol-2-yl]amino}phenol |
| Formula: | C14 H10 F N3 O S |
| Formal charge: | 0 |
| Formula weight: | 287.312 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-fluoro-2-{[4-(pyridin-4-yl)-1,3-thiazol-2-yl]amino}phenol |
| OpenEye OEToolkits | 1.7.6 | 4-fluoranyl-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1cc(c(O)cc1)Nc2nc(cs2)c3ccncc3 |
| InChI | InChI | 1.03 | InChI=1S/C14H10FN3OS/c15-10-1-2-13(19)11(7-10)17-14-18-12(8-20-14)9-3-5-16-6-4-9/h1-8,19H,(H,17,18) |
| InChIKey | InChI | 1.03 | RMWZRYBJQMKPMA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Oc1ccc(F)cc1Nc2scc(n2)c3ccncc3 |
| SMILES | CACTVS | 3.370 | Oc1ccc(F)cc1Nc2scc(n2)c3ccncc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1F)Nc2nc(cs2)c3ccncc3)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1F)Nc2nc(cs2)c3ccncc3)O |
