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| Canonical Smiles | C1=CN=CC=C1C2=CSC(=N2)NC(=O)CC#N |
|---|---|
| IUPAC Name | 2-cyano-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide |
| InChIKey | QAUZAUFCZQAPNA-UHFFFAOYSA-N |
| INCHI | 1S/C11H8N4OS/c12-4-1-10(16)15-11-14-9(7-17-11)8-2-5-13-6-3-8/h2-3,5-7H,1H2,(H,14,15,16) |
| Molecular Weight | 244.27 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | N-arylamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-arylamides |
| Alternative Parents | 2,4-disubstituted thiazoles Pyridines and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Nitriles Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-arylamide - 2,4-disubstituted 1,3-thiazole - Pyridine - Azole - Thiazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-arylamides. These are organic compounds that contain a carboxamide group that is N-linked to a aryl group. They have the generic structure RC(=O)N(R')H, R = organyl group and R'= aryl group. |
| External Descriptors | Not available |
| Molecular Weight | 244.270 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 244.042 Da |
| Monoisotopic Mass | 244.042 Da |
| Topological Polar Surface Area | 107.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 321.000 |
| 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 |