2WJ
Summary
| Name: | N-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide |
| Formula: | C14 H11 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 269.322 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide |
| OpenEye OEToolkits | 1.7.6 | N-(6-pyridin-3-yl-1,3-benzothiazol-2-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1nc2ccc(cc2s1)c3cccnc3)C |
| InChI | InChI | 1.03 | InChI=1S/C14H11N3OS/c1-9(18)16-14-17-12-5-4-10(7-13(12)19-14)11-3-2-6-15-8-11/h2-8H,1H3,(H,16,17,18) |
| InChIKey | InChI | 1.03 | IRENWYOEYVTIRD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1sc2cc(ccc2n1)c3cccnc3 |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1sc2cc(ccc2n1)c3cccnc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)Nc1nc2ccc(cc2s1)c3cccnc3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)Nc1nc2ccc(cc2s1)c3cccnc3 |
