X3A
Summary
| Name: | [4-amino-2-(phenylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone |
| Formula: | C15 H12 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 296.347 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [4-amino-2-(phenylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone |
| OpenEye OEToolkits | 1.7.0 | (4-azanyl-2-phenylazanyl-1,3-thiazol-5-yl)-pyridin-3-yl-methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1sc(nc1N)Nc2ccccc2)c3cccnc3 |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1nc(Nc2ccccc2)sc1C(=O)c3cccnc3 |
| SMILES | CACTVS | 3.370 | Nc1nc(Nc2ccccc2)sc1C(=O)c3cccnc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)Nc2nc(c(s2)C(=O)c3cccnc3)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)Nc2nc(c(s2)C(=O)c3cccnc3)N |
| InChI | InChI | 1.03 | InChI=1S/C15H12N4OS/c16-14-13(12(20)10-5-4-8-17-9-10)21-15(19-14)18-11-6-2-1-3-7-11/h1-9H,16H2,(H,18,19) |
| InChIKey | InChI | 1.03 | LERGLIZTDGVNRO-UHFFFAOYSA-N |
