About 2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid
2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 156849514) has the molecular formula C24H17F3N4O3S
and a molecular weight of 498.49 g/mol. Its IUPAC name is 2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid.
Molecular Properties
| Compound Name | 2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid |
|---|
| PubChem CID | 156849514 |
|---|
| Molecular Formula | C24H17F3N4O3S |
|---|
| Molecular Weight | 498.49 g/mol |
|---|
| Exact Mass | 498.10 |
|---|
| IUPAC Name | 2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid |
|---|
| SMILES | O=C(O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(-n3ccccc3=O)cc2)c(C2CC2)s1 |
|---|
| InChI | InChI=1S/C24H17F3N4O3S/c25-24(26,27)15-11-17(22(33)34)21(28-12-15)30-23-29-19(20(35-23)14-4-5-14)13-6-8-16(9-7-13)31-10-2-1-3-18(31)32/h1-3,6-12,14H,4-5H2,(H,33,34)(H,28,29,30) |
|---|
| InChIKey | YQLHHIKSMNUOJR-UHFFFAOYSA-N |
|---|
| XLogP | 5.69 |
|---|
| TPSA | 97.11 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 35 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 498.49 |
| LogP ≤ 5 | 5.69 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze 2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid 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-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid (CID 156849514) is 2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid is O=C(O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(-n3ccccc3=O)cc2)c(C2CC2)s1.
What is the InChIKey of 2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is YQLHHIKSMNUOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N4O3S/c25-24(26,27)15-11-17(22(33)34)21(28-12-15)30-23-29-19(20(35-23)14-4-5-14)13-6-8-16(9-7-13)31-10-2-1-3-18(31)32/h1-3,6-12,14H,4-5H2,(H,33,34)(H,28,29,30).
What are the key properties of 2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid?
2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 498.49 g/mol, XLogP of 5.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 156849514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).