WVD
Summary
| Name: | 4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one |
| Formula: | C9 H11 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 225.268 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one |
| OpenEye OEToolkits | 2.0.7 | 4-[(4-methyl-1,3-thiazol-5-yl)carbonyl]piperazin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C2NC(=O)CN(C(c1c(C)ncs1)=O)C2 |
| InChI | InChI | 1.03 | InChI=1S/C9H11N3O2S/c1-6-8(15-5-11-6)9(14)12-3-2-10-7(13)4-12/h5H,2-4H2,1H3,(H,10,13) |
| InChIKey | InChI | 1.03 | CAIRNMNSCHTAFY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ncsc1C(=O)N2CCNC(=O)C2 |
| SMILES | CACTVS | 3.385 | Cc1ncsc1C(=O)N2CCNC(=O)C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(scn1)C(=O)N2CCNC(=O)C2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(scn1)C(=O)N2CCNC(=O)C2 |
