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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CSC(=C1)C2=CN3C(=CSC3=N2)CC(=O)O |
|---|---|
| IUPAC Name | 2-(6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid |
| InChIKey | XWSSFCNLPSHTJE-UHFFFAOYSA-N |
| INCHI | 1S/C11H8N2O2S2/c14-10(15)4-7-6-17-11-12-8(5-13(7)11)9-2-1-3-16-9/h1-3,5-6H,4H2,(H,14,15) |
| Molecular Weight | 264.3 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Imidazoles |
| Intermediate Tree Nodes | Substituted imidazoles |
| Direct Parent | N-substituted imidazoles |
| Alternative Parents | Thiophenes Thiazoles Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-substituted imidazole - Thiazole - Thiophene - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1. |
| External Descriptors | Not available |
| Molecular Weight | 264.300 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 264.003 Da |
| Monoisotopic Mass | 264.003 Da |
| Topological Polar Surface Area | 111.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 316.000 |
| 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 |