5ZR
Summary
| Name: | 2-azanyl-5-heptyl-1,3-thiazole-4-carboxylic acid |
| Formula: | C11 H18 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 242.338 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-5-heptyl-1,3-thiazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H18N2O2S/c1-2-3-4-5-6-7-8-9(10(14)15)13-11(12)16-8/h2-7H2,1H3,(H2,12,13)(H,14,15) |
| InChIKey | InChI | 1.06 | REOSVLTUJCDFJX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCc1sc(N)nc1C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCCc1sc(N)nc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCc1c(nc(s1)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCc1c(nc(s1)N)C(=O)O |
