A1AP6
Summary
| Name: | N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide |
| Formula: | C9 H13 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 227.283 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[2-(dimethylamino)-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCC(=O)N(C)C)c1scnc1C |
| InChI | InChI | 1.06 | InChI=1S/C9H13N3O2S/c1-6-8(15-5-11-6)9(14)10-4-7(13)12(2)3/h5H,4H2,1-3H3,(H,10,14) |
| InChIKey | InChI | 1.06 | VISCEWOYYMVEGD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=O)CNC(=O)c1scnc1C |
| SMILES | CACTVS | 3.385 | CN(C)C(=O)CNC(=O)c1scnc1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(scn1)C(=O)NCC(=O)N(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(scn1)C(=O)NCC(=O)N(C)C |
