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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=CN=C(S1)NC(=O)C2=CC=C(O2)Br |
|---|---|
| IUPAC Name | 5-bromo-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide |
| InChIKey | PEZPKRCSYQLBMP-UHFFFAOYSA-N |
| INCHI | 1S/C9H7BrN2O2S/c1-5-4-11-9(15-5)12-8(13)6-2-3-7(10)14-6/h2-4H,1H3,(H,11,12,13) |
| Molecular Weight | 287.14 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Intermediate Tree Nodes | Carboxylic acid amides |
| Direct Parent | 2-heteroaryl carboxamides |
| Alternative Parents | Furoic acid and derivatives 2,5-disubstituted thiazoles Aryl bromides Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-heteroaryl carboxamide - Furoic acid or derivatives - 2,5-disubstituted 1,3-thiazole - Aryl bromide - Aryl halide - Azole - Furan - Thiazole - Heteroaromatic compound - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-heteroaryl carboxamides. These are compounds containing a heteroaromatic ring that carries a carboxamide group. |
| External Descriptors | Not available |
| Molecular Weight | 287.140 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 285.941 Da |
| Monoisotopic Mass | 285.941 Da |
| Topological Polar Surface Area | 83.400 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 254.000 |
| 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 |