for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
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=CC=C(O1)C2C(=C(C(=O)N2CCN(C)C)O)C(=O)C3=C(N=C(S3)C4=CC=CC=C4)C |
|---|---|
| IUPAC Name | 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(5-methylfuran-2-yl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one |
| InChIKey | GBYRSEMZAJOZQB-UHFFFAOYSA-N |
| INCHI | 1S/C24H25N3O4S/c1-14-10-11-17(31-14)19-18(21(29)24(30)27(19)13-12-26(3)4)20(28)22-15(2)25-23(32-22)16-8-6-5-7-9-16/h5-11,19,29H,12-13H2,1-4H3 |
| Molecular Weight | 451.500 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Thiazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2,4,5-trisubstituted thiazoles |
| Alternative Parents | Aryl ketones Pyrroline carboxylic acids and derivatives Benzene and substituted derivatives Vinylogous acids Tertiary carboxylic acid amides Furans Heteroaromatic compounds Amino acids and derivatives Trialkylamines Lactams Enols Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2,4,5-trisubstituted 1,3-thiazole - Aryl ketone - Pyrroline carboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Furan - Heteroaromatic compound - Vinylogous acid - Tertiary carboxylic acid amide - Pyrroline - Amino acid or derivatives - Carboxamide group - Ketone - Lactam - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Enol - Oxacycle - Azacycle - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2,4,5-trisubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2, 4 and 5 only. |
| External Descriptors | Not available |
| Molecular Weight | 451.500 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 451.157 Da |
| Monoisotopic Mass | 451.157 Da |
| Topological Polar Surface Area | 115.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 752.000 |
| 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 |
