WBX
Summary
| Name: | methyl [4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate |
| Formula: | C10 H15 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 241.31 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl [4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate |
| OpenEye OEToolkits | 2.0.7 | methyl 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OC)CN1CCN(CC1)c1nccs1 |
| InChI | InChI | 1.06 | InChI=1S/C10H15N3O2S/c1-15-9(14)8-12-3-5-13(6-4-12)10-11-2-7-16-10/h2,7H,3-6,8H2,1H3 |
| InChIKey | InChI | 1.06 | SKRDEVBPVBDTKR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)CN1CCN(CC1)c2sccn2 |
| SMILES | CACTVS | 3.385 | COC(=O)CN1CCN(CC1)c2sccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)CN1CCN(CC1)c2nccs2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)CN1CCN(CC1)c2nccs2 |
