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 | COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NC=NN3)OC |
|---|---|
| IUPAC Name | N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide |
| InChIKey | MOJJOJXUACHANH-UHFFFAOYSA-N |
| INCHI | 1S/C15H15N5O3S2/c1-22-11-4-3-9(5-12(11)23-2)10-6-24-15(18-10)19-13(21)7-25-14-16-8-17-20-14/h3-6,8H,7H2,1-2H3,(H,16,17,20)(H,18,19,21) |
| Molecular Weight | 377.4 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Methoxybenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dimethoxybenzenes |
| Alternative Parents | Phenoxy compounds N-arylamides Anisoles Alkylarylthioethers Alkyl aryl ethers 2,4-disubstituted thiazoles Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Dimethoxybenzene - O-dimethoxybenzene - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - N-arylamide - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Alkylarylthioether - Azole - Thiazole - 1,2,4-triazole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Sulfenyl compound - Azacycle - Thioether - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups. |
| External Descriptors | Not available |
| Molecular Weight | 377.400 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 377.062 Da |
| Monoisotopic Mass | 377.062 Da |
| Topological Polar Surface Area | 156.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 447.000 |
| 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 |
![N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide - CAS No(455310-36-8) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/N/1/N1241675.jpg)