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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1CCC(CC1)C2=CC=C(C=C2)C3=CSC(=N3)NC(=O)CC#N |
|---|---|
| IUPAC Name | 2-cyano-N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]acetamide |
| InChIKey | CZTPQGAFWSPAST-UHFFFAOYSA-N |
| INCHI | 1S/C18H19N3OS/c19-11-10-17(22)21-18-20-16(12-23-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-9,12-13H,1-5,10H2,(H,20,21,22) |
| Molecular Weight | 325.4 |
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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 Benzene and substituted 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 - Monocyclic benzene moiety - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - 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 | 325.400 g/mol |
|---|---|
| XLogP3 | 5.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 325.125 Da |
| Monoisotopic Mass | 325.125 Da |
| Topological Polar Surface Area | 94.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 446.000 |
| 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 |