| Canonical Smiles | C1=CC(=C(C=C1CC2=CN=C(S2)N)Cl)F |
|---|---|
| IUPAC Name | 5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine |
| InChIKey | XCLVAYKNTWGKSJ-UHFFFAOYSA-N |
| INCHI | 1S/C10H8ClFN2S/c11-8-4-6(1-2-9(8)12)3-7-5-14-10(13)15-7/h1-2,4-5H,3H2,(H2,13,14) |
| Molecular Weight | 242.7 |
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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 Chlorobenzenes Aryl fluorides Aryl chlorides 2-amino-1,3-thiazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organofluorides Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2,5-disubstituted 1,3-thiazole - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,3-thiazol-2-amine - Heteroaromatic compound - Azacycle - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organochloride - Organofluoride - Organonitrogen compound - Primary amine - 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 | 242.700 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 242.008 Da |
| Monoisotopic Mass | 242.008 Da |
| Topological Polar Surface Area | 67.200 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 220.000 |
| 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-[(3-Chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine - ≥95% , CAS No.893724-17-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)