≥97% 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 | CC(C)(C)OC(=O)N1CCN(CC1)CC2=CSC3=NC(=CN23)C4=CC=CC=C4N |
|---|---|
| IUPAC Name | tert-butyl 4-[[6-(2-aminophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]piperazine-1-carboxylate |
| InChIKey | MFENNGNCCWZOCX-UHFFFAOYSA-N |
| INCHI | 1S/C21H27N5O2S/c1-21(2,3)28-20(27)25-10-8-24(9-11-25)12-15-14-29-19-23-18(13-26(15)19)16-6-4-5-7-17(16)22/h4-7,13-14H,8-12,22H2,1-3H3 |
| Molecular Weight | 413.500 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Imidazoles |
| Intermediate Tree Nodes | Substituted imidazoles |
| Direct Parent | Phenylimidazoles |
| Alternative Parents | Piperazine carboxylic acids Aniline and substituted anilines N-alkylpiperazines Aralkylamines N-substituted imidazoles Thiazoles Heteroaromatic compounds Carbamate esters Trialkylamines Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 5-phenylimidazole - 4-phenylimidazole - Piperazine-1-carboxylic acid - Aniline or substituted anilines - Aralkylamine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - N-substituted imidazole - Benzenoid - Piperazine - Heteroaromatic compound - Carbamic acid ester - Thiazole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Primary amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond. |
| External Descriptors | Not available |
| Molecular Weight | 413.500 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 413.189 Da |
| Monoisotopic Mass | 413.189 Da |
| Topological Polar Surface Area | 104.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 578.000 |
| 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 |
![Tert-butyl 4-{[6-(2-aminophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl}piperazine-1-carboxylate - ≥97% , CAS No.925437-87-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)