GTI
Summary
| Name: | 1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine |
| Formula: | C12 H14 N4 S |
| Formal charge: | 0 |
| Formula weight: | 246.331 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine |
| OpenEye OEToolkits | 1.7.2 | 3-phenyl-5-piperazin-1-yl-1,2,4-thiadiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(snc1c2ccccc2)N3CCNCC3 |
| InChI | InChI | 1.03 | InChI=1S/C12H14N4S/c1-2-4-10(5-3-1)11-14-12(17-15-11)16-8-6-13-7-9-16/h1-5,13H,6-9H2 |
| InChIKey | InChI | 1.03 | UMFMHSLRNJBGKO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C1CN(CCN1)c2snc(n2)c3ccccc3 |
| SMILES | CACTVS | 3.370 | C1CN(CCN1)c2snc(n2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)c2nc(sn2)N3CCNCC3 |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)c2nc(sn2)N3CCNCC3 |
