| Canonical Smiles | CC1=CC=CC=C1CC2=CN=C(S2)N |
|---|---|
| IUPAC Name | 5-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine |
| InChIKey | HVBQNABRJKMLAU-UHFFFAOYSA-N |
| INCHI | 1S/C11H12N2S/c1-8-4-2-3-5-9(8)6-10-7-13-11(12)14-10/h2-5,7H,6H2,1H3,(H2,12,13) |
| Isomeric SMILES | CC1=CC=CC=C1CC2=CN=C(S2)N |
| PubChem CID | 16770159 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Benzene and substituted derivatives Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2,5-disubstituted 1,3-thiazole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organonitrogen 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 | 204.290 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 204.072 Da |
| Monoisotopic Mass | 204.072 Da |
| Topological Polar Surface Area | 67.200 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 186.000 |
| 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-[(2-Methylphenyl)methyl]-1,3-thiazol-2-amine - ≥95% , CAS No.926246-11-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)