KWC
Summary
| Name: | 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine |
| Formula: | C13 H14 F N3 S |
| Formal charge: | 0 |
| Formula weight: | 263.334 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine |
| OpenEye OEToolkits | 2.0.7 | 4-(4-fluorophenyl)-2-piperazin-1-yl-1,3-thiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1ccc(cc1)c1csc(n1)N1CCNCC1 |
| InChI | InChI | 1.03 | InChI=1S/C13H14FN3S/c14-11-3-1-10(2-4-11)12-9-18-13(16-12)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2 |
| InChIKey | InChI | 1.03 | DZOSNUNUESTDRS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(cc1)c2csc(n2)N3CCNCC3 |
| SMILES | CACTVS | 3.385 | Fc1ccc(cc1)c2csc(n2)N3CCNCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2csc(n2)N3CCNCC3)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2csc(n2)N3CCNCC3)F |
