About [2-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-[2-(trifluoromethyl)phenyl]methanone
[2-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 11444073) has the molecular formula C24H24F3N3O4S2
and a molecular weight of 539.60 g/mol. Its IUPAC name is [2-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-[2-(trifluoromethyl)phenyl]methanone.
Molecular Properties
| Compound Name | [2-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-[2-(trifluoromethyl)phenyl]methanone |
|---|
| PubChem CID | 11444073 |
|---|
| Molecular Formula | C24H24F3N3O4S2 |
|---|
| Molecular Weight | 539.60 g/mol |
|---|
| Exact Mass | 539.12 |
|---|
| IUPAC Name | [2-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-[2-(trifluoromethyl)phenyl]methanone |
|---|
| SMILES | COc1ccc(C)cc1S(=O)(=O)N1CCC(Nc2ncc(C(=O)c3ccccc3C(F)(F)F)s2)CC1 |
|---|
| InChI | InChI=1S/C24H24F3N3O4S2/c1-15-7-8-19(34-2)21(13-15)36(32,33)30-11-9-16(10-12-30)29-23-28-14-20(35-23)22(31)17-5-3-4-6-18(17)24(25,26)27/h3-8,13-14,16H,9-12H2,1-2H3,(H,28,29) |
|---|
| InChIKey | CHDAZVYCOGAZIT-UHFFFAOYSA-N |
|---|
| XLogP | 4.98 |
|---|
| TPSA | 88.60 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 36 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 539.60 |
| LogP ≤ 5 | 4.98 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze [2-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-[2-(trifluoromethyl)phenyl]methanone with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of [2-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [2-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 11444073) is [2-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [2-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [2-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-[2-(trifluoromethyl)phenyl]methanone is COc1ccc(C)cc1S(=O)(=O)N1CCC(Nc2ncc(C(=O)c3ccccc3C(F)(F)F)s2)CC1.
What is the InChIKey of [2-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is CHDAZVYCOGAZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O4S2/c1-15-7-8-19(34-2)21(13-15)36(32,33)30-11-9-16(10-12-30)29-23-28-14-20(35-23)22(31)17-5-3-4-6-18(17)24(25,26)27/h3-8,13-14,16H,9-12H2,1-2H3,(H,28,29).
What are the key properties of [2-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-[2-(trifluoromethyl)phenyl]methanone?
[2-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 539.60 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 11444073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).