5ZD
Summary
| Name: | 2-azanyl-5-hexyl-1,3-thiazole-4-carboxylic acid |
| Formula: | C10 H16 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 228.311 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-5-hexyl-1,3-thiazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H16N2O2S/c1-2-3-4-5-6-7-8(9(13)14)12-10(11)15-7/h2-6H2,1H3,(H2,11,12)(H,13,14) |
| InChIKey | InChI | 1.06 | FECUATPHGPYTQC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCc1sc(N)nc1C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCc1sc(N)nc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCc1c(nc(s1)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCc1c(nc(s1)N)C(=O)O |
