for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=C(C(N2C(=O)CSC2=N1)C3=CC=C(C=C3)Cl)C(=O)NC4=CC=CC=C4 |
|---|---|
| IUPAC Name | 5-(4-chlorophenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide |
| InChIKey | HMGGAUVUWALKHG-UHFFFAOYSA-N |
| INCHI | 1S/C20H16ClN3O2S/c1-12-17(19(26)23-15-5-3-2-4-6-15)18(13-7-9-14(21)10-8-13)24-16(25)11-27-20(24)22-12/h2-10,18H,11H2,1H3,(H,23,26) |
| Isomeric SMILES | CC1=C(C(N2C(=O)CSC2=N1)C3=CC=C(C=C3)Cl)C(=O)NC4=CC=CC=C4 |
| PubChem CID | 2765641 |
| Molecular Weight | 397.88 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Pyrimidinecarboxylic acids and derivatives |
| Direct Parent | Pyrimidinecarboxamides |
| Alternative Parents | Anilides N-arylamides Chlorobenzenes Aryl chlorides Hydropyrimidines Thiazolidines Secondary carboxylic acid amides Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Organopnictogen compounds Carbonyl compounds Organochlorides Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Anilide - Pyrimidinecarboxamide - N-arylamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - 1,6-dihydropyrimidine - Benzenoid - Thiazolidine - Carboxamide group - Isothiourea - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrimidinecarboxamides. These are compounds containing a pyrimidine ring which bears a carboxamide. |
| External Descriptors | Not available |
| Molecular Weight | 397.900 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 397.065 Da |
| Monoisotopic Mass | 397.065 Da |
| Topological Polar Surface Area | 87.100 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 679.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![5-(4-chlorophenyl)-7-methyl-3-oxo-N-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide , CAS No.182171-02-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)