6HR
Summary
| Name: | 3-{2-[(2',6-dimethyl[1,1'-biphenyl]-3-yl)amino]-1,3-thiazol-4-yl}propan-1-ol |
| Formula: | C20 H22 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 338.466 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-{2-[(2',6-dimethyl[1,1'-biphenyl]-3-yl)amino]-1,3-thiazol-4-yl}propan-1-ol |
| OpenEye OEToolkits | 2.0.4 | 3-[2-[[4-methyl-3-(2-methylphenyl)phenyl]amino]-1,3-thiazol-4-yl]propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1ccccc1c2c(ccc(c2)Nc3nc(CCCO)cs3)C |
| InChI | InChI | 1.03 | InChI=1S/C20H22N2OS/c1-14-6-3-4-8-18(14)19-12-16(10-9-15(19)2)21-20-22-17(13-24-20)7-5-11-23/h3-4,6,8-10,12-13,23H,5,7,11H2,1-2H3,(H,21,22) |
| InChIKey | InChI | 1.03 | KHYLEUBWCWVZDG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1c2cc(Nc3scc(CCCO)n3)ccc2C |
| SMILES | CACTVS | 3.385 | Cc1ccccc1c2cc(Nc3scc(CCCO)n3)ccc2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1ccccc1c2cc(ccc2C)Nc3nc(cs3)CCCO |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1ccccc1c2cc(ccc2C)Nc3nc(cs3)CCCO |
