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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=NC(=CS1)C2=CC3=C(C=C2)NCC3 |
|---|---|
| IUPAC Name | 4-(2,3-dihydro-1H-indol-5-yl)-2-methyl-1,3-thiazole |
| InChIKey | WFVKRJYMIVDODL-UHFFFAOYSA-N |
| INCHI | 1S/C12H12N2S/c1-8-14-12(7-15-8)9-2-3-11-10(6-9)4-5-13-11/h2-3,6-7,13H,4-5H2,1H3 |
| Molecular Weight | 216.3 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Indolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolines |
| Alternative Parents | Secondary alkylarylamines Aralkylamines 2,4-disubstituted thiazoles Benzenoids Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dihydroindole - Aralkylamine - Secondary aliphatic/aromatic amine - 2,4-disubstituted 1,3-thiazole - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Azacycle - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole. |
| External Descriptors | Not available |
| Molecular Weight | 216.300 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 216.072 Da |
| Monoisotopic Mass | 216.072 Da |
| Topological Polar Surface Area | 53.200 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 234.000 |
| 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 |