5Z2
Summary
| Name: | 2-azanyl-5-pentyl-1,3-thiazole-4-carboxylic acid |
| Formula: | C9 H14 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 214.285 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-5-pentyl-1,3-thiazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H14N2O2S/c1-2-3-4-5-6-7(8(12)13)11-9(10)14-6/h2-5H2,1H3,(H2,10,11)(H,12,13) |
| InChIKey | InChI | 1.06 | QDQHHDKQNJLCEQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCc1sc(N)nc1C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCc1sc(N)nc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCc1c(nc(s1)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCc1c(nc(s1)N)C(=O)O |
