XN5
Summary
| Name: | 5-fluoro-2-({[(3M)-3-(1,2-thiazol-3-yl)pyridin-2-yl]amino}methyl)phenol |
| Formula: | C15 H12 F N3 O S |
| Formal charge: | 0 |
| Formula weight: | 301.339 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-fluoro-2-({[(3M)-3-(1,2-thiazol-3-yl)pyridin-2-yl]amino}methyl)phenol |
| OpenEye OEToolkits | 2.0.7 | 5-fluoranyl-2-[[[3-(1,2-thiazol-3-yl)pyridin-2-yl]amino]methyl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1ccc(CNc2ncccc2c2ccsn2)c(O)c1 |
| InChI | InChI | 1.06 | InChI=1S/C15H12FN3OS/c16-11-4-3-10(14(20)8-11)9-18-15-12(2-1-6-17-15)13-5-7-21-19-13/h1-8,20H,9H2,(H,17,18) |
| InChIKey | InChI | 1.06 | VHMHZWAZTGHNTQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(F)ccc1CNc2ncccc2c3ccsn3 |
| SMILES | CACTVS | 3.385 | Oc1cc(F)ccc1CNc2ncccc2c3ccsn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(nc1)NCc2ccc(cc2O)F)c3ccsn3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(nc1)NCc2ccc(cc2O)F)c3ccsn3 |
