| Canonical Smiles | C1=C(SC(=C1)Cl)C2=CC(=NO2)N |
|---|---|
| IUPAC Name | 5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-amine |
| InChIKey | AKHRFZWPCZSEBV-UHFFFAOYSA-N |
| INCHI | 1S/C7H5ClN2OS/c8-6-2-1-5(12-6)4-3-7(9)10-11-4/h1-3H,(H2,9,10) |
| Molecular Weight | 200.65 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Thiophenes |
| Subclass | 2,5-disubstituted thiophenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2,5-disubstituted thiophenes |
| Alternative Parents | Imidolactams Aryl chlorides Isoxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Primary amines Organooxygen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2,5-disubstituted thiophene - Aryl chloride - Aryl halide - Imidolactam - Azole - Heteroaromatic compound - Isoxazole - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Primary amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2,5-disubstituted thiophenes. These are organic compounds containing a thiophene that is disubstituted at the C-2, and C5-positions. |
| External Descriptors | Not available |
| Molecular Weight | 200.650 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 199.981 Da |
| Monoisotopic Mass | 199.981 Da |
| Topological Polar Surface Area | 80.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 171.000 |
| 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 |
