≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | C1CN2CCC1C3=C2C=C4C(=C(SC4=N3)C(=O)NC5=CC(=CC=C5)F)N |
|---|---|
| IUPAC Name | 5-amino-N-(3-fluorophenyl)-7-thia-1,9-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,5,8-tetraene-6-carboxamide |
| InChIKey | UOSZZHLAKHJTKP-UHFFFAOYSA-N |
| INCHI | 1S/C19H17FN4OS/c20-11-2-1-3-12(8-11)22-18(25)17-15(21)13-9-14-16(23-19(13)26-17)10-4-6-24(14)7-5-10/h1-3,8-10H,4-7,21H2,(H,22,25) |
| Isomeric SMILES | C1CN2CCC1C3=C2C=C4C(=C(SC4=N3)C(=O)NC5=CC(=CC=C5)F)N |
| PubChem CID | 4973949 |
| Molecular Weight | 368.43 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aromatic anilides |
| Alternative Parents | Naphthyridines Thienopyridines Thiophene carboxamides 2-heteroaryl carboxamides Dialkylarylamines Aralkylamines Fluorobenzenes Pyridines and derivatives Piperidines Aminothiophenes Aryl fluorides Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organooxygen compounds Primary amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aromatic anilide - Naphthyridine - Thienopyridine - 2-heteroaryl carboxamide - Tertiary aliphatic/aromatic amine - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Dialkylarylamine - Fluorobenzene - Halobenzene - Aralkylamine - Aminothiophene - Pyridine - Aryl fluoride - Piperidine - Aryl halide - Vinylogous amide - Thiophene - Heteroaromatic compound - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Amine - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group. |
| External Descriptors | Not available |
| Molecular Weight | 368.400 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 368.111 Da |
| Monoisotopic Mass | 368.111 Da |
| Topological Polar Surface Area | 99.500 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 558.000 |
| 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 |
![5-amino-N-(3-fluorophenyl)-7-thia-1,9-diazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2(10),3,5,8-tetraene-6-carboxamide - ≥90% , CAS No.728003-21-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)