6HW
Summary
| Name: | N-(2',6-dimethyl[1,1'-biphenyl]-3-yl)-1,3-thiazol-2-amine |
| Formula: | C17 H16 N2 S |
| Formal charge: | 0 |
| Formula weight: | 280.387 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(2',6-dimethyl[1,1'-biphenyl]-3-yl)-1,3-thiazol-2-amine |
| OpenEye OEToolkits | 2.0.4 | ~{N}-[4-methyl-3-(2-methylphenyl)phenyl]-1,3-thiazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1ccccc1c2c(ccc(c2)Nc3nccs3)C |
| InChI | InChI | 1.03 | InChI=1S/C17H16N2S/c1-12-5-3-4-6-15(12)16-11-14(8-7-13(16)2)19-17-18-9-10-20-17/h3-11H,1-2H3,(H,18,19) |
| InChIKey | InChI | 1.03 | OZBQQKIXAODXQL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1c2cc(Nc3sccn3)ccc2C |
| SMILES | CACTVS | 3.385 | Cc1ccccc1c2cc(Nc3sccn3)ccc2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1ccccc1c2cc(ccc2C)Nc3nccs3 |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1ccccc1c2cc(ccc2C)Nc3nccs3 |
