| Canonical Smiles | CCOC(=O)C1=CN=C(S1)NC(=O)OC(C)(C)C |
|---|---|
| IUPAC Name | ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carboxylate |
| InChIKey | HFYFUEBSUSRJIV-UHFFFAOYSA-N |
| INCHI | 1S/C11H16N2O4S/c1-5-16-8(14)7-6-12-9(18-7)13-10(15)17-11(2,3)4/h6H,5H2,1-4H3,(H,12,13,15) |
| Isomeric SMILES | CCOC(=O)C1=CN=C(S1)NC(=O)OC(C)(C)C |
| Molecular Weight | 272.3 |
| Reaxy-Rn | 9558584 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9558584&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Thiazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiazolecarboxylic acids and derivatives |
| Alternative Parents | 2,5-disubstituted thiazoles Heteroaromatic compounds Carbamate esters Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Thiazolecarboxylic acid or derivatives - 2,5-disubstituted 1,3-thiazole - Heteroaromatic compound - Carbamic acid ester - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as thiazolecarboxylic acids and derivatives. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid group (or a derivative thereof). |
| External Descriptors | Not available |
| Molecular Weight | 272.320 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 272.083 Da |
| Monoisotopic Mass | 272.083 Da |
| Topological Polar Surface Area | 106.000 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 317.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
