ZYS
Summary
| Name: | [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone |
| Formula: | C14 H17 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 275.369 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone |
| OpenEye OEToolkits | 1.6.1 | [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-phenyl-methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c1sc(nc1N)NC(C)(C)C)c2ccccc2 |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(C)(C)Nc1sc(c(N)n1)C(=O)c2ccccc2 |
| SMILES | CACTVS | 3.352 | CC(C)(C)Nc1sc(c(N)n1)C(=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC(C)(C)Nc1nc(c(s1)C(=O)c2ccccc2)N |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC(C)(C)Nc1nc(c(s1)C(=O)c2ccccc2)N |
| InChI | InChI | 1.03 | InChI=1S/C14H17N3OS/c1-14(2,3)17-13-16-12(15)11(19-13)10(18)9-7-5-4-6-8-9/h4-8H,15H2,1-3H3,(H,16,17) |
| InChIKey | InChI | 1.03 | KEHNGAHNKVLUSC-UHFFFAOYSA-N |
