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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC(=C(C=C1CC2=CN=C(S2)N)F)F |
|---|---|
| IUPAC Name | 5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-amine |
| InChIKey | HVSCSXQMDYDCSA-UHFFFAOYSA-N |
| INCHI | 1S/C10H8F2N2S/c11-8-2-1-6(4-9(8)12)3-7-5-14-10(13)15-7/h1-2,4-5H,3H2,(H2,13,14) |
| Molecular Weight | 226.25 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Thiazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2,5-disubstituted thiazoles |
| Alternative Parents | Fluorobenzenes Heteroaromatic compounds Vinyl fluorides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Fluoroalkenes Carboximidamides Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Halobenzene - Fluorobenzene - 2,5-disubstituted 1,3-thiazole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Fluoroalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Vinyl halide - Vinyl fluoride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2,5-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2 and 5 only. |
| External Descriptors | Not available |
| Molecular Weight | 226.250 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 226.038 Da |
| Monoisotopic Mass | 226.038 Da |
| Topological Polar Surface Area | 67.200 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 218.000 |
| 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 |