≥95%,Stabilized with TBC 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=NC(=CC(=N1)N2CCNCC2)NC3=NC=C(S3)/C=C/C4=C5C=CNC5=C(C=C4)Cl |
|---|---|
| IUPAC Name | 5-[(E)-2-(7-chloro-1H-indol-4-yl)ethenyl]-N-(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)-1,3-thiazol-2-amine |
| InChIKey | NPVYKVJQQCCWPR-DUXPYHPUSA-N |
| INCHI | 1S/C22H22ClN7S/c1-14-27-19(12-20(28-14)30-10-8-24-9-11-30)29-22-26-13-16(31-22)4-2-15-3-5-18(23)21-17(15)6-7-25-21/h2-7,12-13,24-25H,8-11H2,1H3,(H,26,27,28,29)/b4-2+ |
| Molecular Weight | 452 |
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 | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-arylpiperazines |
| Alternative Parents | Indoles Styrenes Dialkylarylamines Aminopyrimidines and derivatives 2,5-disubstituted thiazoles Imidolactams Aryl chlorides 2-amino-1,3-thiazoles Pyrroles Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-arylpiperazine - Indole - Indole or derivatives - Dialkylarylamine - Styrene - 2,5-disubstituted 1,3-thiazole - Aminopyrimidine - Aryl chloride - Aryl halide - 1,3-thiazol-2-amine - Imidolactam - Benzenoid - Pyrimidine - Heteroaromatic compound - Azole - Thiazole - Pyrrole - Azacycle - Secondary aliphatic amine - Secondary amine - Organohalogen compound - Organopnictogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group. |
| External Descriptors | Not available |
| Molecular Weight | 452.000 g/mol |
|---|---|
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 451.135 Da |
| Monoisotopic Mass | 451.135 Da |
| Topological Polar Surface Area | 110.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 619.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
