≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Desiccated Ships Wet ice 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 | COC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC(=C(C=C3)OC)OC)N |
|---|---|
| IUPAC Name | [4-amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]-(3,4-dimethoxyphenyl)methanone |
| InChIKey | OWBQCPZBRPKYKE-UHFFFAOYSA-N |
| INCHI | 1S/C19H19N3O4S/c1-24-13-7-5-12(6-8-13)21-19-22-18(20)17(27-19)16(23)11-4-9-14(25-2)15(10-11)26-3/h4-10H,20H2,1-3H3,(H,21,22) |
| Molecular Weight | 385.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Aryl-phenylketones |
| Alternative Parents | Dimethoxybenzenes Methoxyanilines 2,4,5-trisubstituted thiazoles Phenoxy compounds Anisoles Benzoyl derivatives Alkyl aryl ethers 2-amino-1,3-thiazoles Imidolactams Vinylogous amides Heteroaromatic compounds Secondary amines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary amines |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl-phenylketone - Dimethoxybenzene - O-dimethoxybenzene - Methoxyaniline - 2,4,5-trisubstituted 1,3-thiazole - Anisole - Benzoyl - Phenol ether - Aniline or substituted anilines - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - 1,3-thiazolamine - Benzenoid - Imidolactam - 1,3-thiazol-2-amine - Heteroaromatic compound - Thiazole - Vinylogous amide - Azole - Secondary amine - Ether - Azacycle - Organoheterocyclic compound - Primary amine - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 385.400 g/mol |
|---|---|
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 385.11 Da |
| Monoisotopic Mass | 385.11 Da |
| Topological Polar Surface Area | 124.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 490.000 |
| 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 |
![{4-Amino-2-[(4-methoxyphenyl)amino]-1,3-thiazol-5-yl}(3,4-dimethoxyphenyl)methanone - ≥99% CAS No(727686-80-8) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/A/1/A1236056.jpg)