ZVN
Summary
| Name: | 2-(piperazin-1-yl)-1,3-benzothiazole |
| Formula: | C11 H13 N3 S |
| Formal charge: | 0 |
| Formula weight: | 219.306 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(piperazin-1-yl)-1,3-benzothiazole |
| OpenEye OEToolkits | 2.0.7 | 2-piperazin-1-yl-1,3-benzothiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cccc2sc(nc12)N1CCNCC1 |
| InChI | InChI | 1.06 | InChI=1S/C11H13N3S/c1-2-4-10-9(3-1)13-11(15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2 |
| InChIKey | InChI | 1.06 | LLQMZXMBCQNMJV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CN(CCN1)c2sc3ccccc3n2 |
| SMILES | CACTVS | 3.385 | C1CN(CCN1)c2sc3ccccc3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)nc(s2)N3CCNCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)nc(s2)N3CCNCC3 |
