VO1
Summary
| Name: | 3-(benzyloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine |
| Formula: | C16 H15 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 297.375 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(benzyloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine |
| OpenEye OEToolkits | 1.7.6 | 4-methyl-N-(3-phenylmethoxypyridin-2-yl)-1,3-thiazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2cccc(OCc1ccccc1)c2Nc3nc(cs3)C |
| InChI | InChI | 1.03 | InChI=1S/C16H15N3OS/c1-12-11-21-16(18-12)19-15-14(8-5-9-17-15)20-10-13-6-3-2-4-7-13/h2-9,11H,10H2,1H3,(H,17,18,19) |
| InChIKey | InChI | 1.03 | LPJWCRSWBACCSH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1csc(Nc2ncccc2OCc3ccccc3)n1 |
| SMILES | CACTVS | 3.385 | Cc1csc(Nc2ncccc2OCc3ccccc3)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1csc(n1)Nc2c(cccn2)OCc3ccccc3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1csc(n1)Nc2c(cccn2)OCc3ccccc3 |
