019
Summary
| Name: | methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamic acid |
| Formula: | C9 H14 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 214.285 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamic acid |
| OpenEye OEToolkits | 1.7.0 | methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)N(Cc1nc(sc1)C(C)C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)c1scc(CN(C)C(O)=O)n1 |
| SMILES | CACTVS | 3.370 | CC(C)c1scc(CN(C)C(O)=O)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)c1nc(cs1)CN(C)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)c1nc(cs1)CN(C)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H14N2O2S/c1-6(2)8-10-7(5-14-8)4-11(3)9(12)13/h5-6H,4H2,1-3H3,(H,12,13) |
| InChIKey | InChI | 1.03 | RYVNCLMOHYUBHZ-UHFFFAOYSA-N |
