JR7
Summary
| Name: | N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]propanamide |
| Formula: | C12 H11 Cl N2 O S |
| Formal charge: | 0 |
| Formula weight: | 266.747 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]propanamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C)C(=O)Nc1scc(n1)c2ccc(Cl)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H11ClN2OS/c1-2-11(16)15-12-14-10(7-17-12)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3,(H,14,15,16) |
| InChIKey | InChI | 1.03 | NRCYQWNSXCXBPN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)Nc1scc(n1)c2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | CCC(=O)Nc1scc(n1)c2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCC(=O)Nc1nc(cs1)c2ccc(cc2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCC(=O)Nc1nc(cs1)c2ccc(cc2)Cl |
