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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CNC1=NC2=C(S1)C(=CC(=O)N2)O |
|---|---|
| IUPAC Name | 7-hydroxy-2-(methylamino)-4H-[1,3]thiazolo[4,5-b]pyridin-5-one |
| InChIKey | VOVRAHNUMSFRIG-UHFFFAOYSA-N |
| INCHI | 1S/C7H7N3O2S/c1-8-7-10-6-5(13-7)3(11)2-4(12)9-6/h2H,1H3,(H3,8,9,10,11,12) |
| Molecular Weight | 197.22 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Amines |
| Intermediate Tree Nodes | Secondary amines |
| Direct Parent | Secondary alkylarylamines |
| Alternative Parents | Hydroxypyridines 2-amino-1,3-thiazoles Vinylogous amides Vinylogous acids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Secondary aliphatic/aromatic amine - Hydroxypyridine - Pyridine - 1,3-thiazol-2-amine - Azole - Thiazole - Heteroaromatic compound - Vinylogous acid - Vinylogous amide - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as secondary alkylarylamines. These are secondary alkylarylamines with the general formula HN(R)R' (R = alkyl, R' = aryl). |
| External Descriptors | Not available |
| Molecular Weight | 197.220 g/mol |
|---|---|
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 197.026 Da |
| Monoisotopic Mass | 197.026 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 268.000 |
| 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 |