About N-[4-(6-ethoxypyrazin-2-yl)-2-(trifluoromethyl)phenyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methylpropanamide
N-[4-(6-ethoxypyrazin-2-yl)-2-(trifluoromethyl)phenyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methylpropanamide (PubChem CID 155163018) has the molecular formula C21H22F3N5O4S2
and a molecular weight of 529.57 g/mol. Its IUPAC name is N-[4-(6-ethoxypyrazin-2-yl)-2-(trifluoromethyl)phenyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methylpropanamide.
Molecular Properties
| Compound Name | N-[4-(6-ethoxypyrazin-2-yl)-2-(trifluoromethyl)phenyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methylpropanamide |
|---|
| PubChem CID | 155163018 |
|---|
| Molecular Formula | C21H22F3N5O4S2 |
|---|
| Molecular Weight | 529.57 g/mol |
|---|
| Exact Mass | 529.11 |
|---|
| IUPAC Name | N-[4-(6-ethoxypyrazin-2-yl)-2-(trifluoromethyl)phenyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methylpropanamide |
|---|
| SMILES | CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3csc(NS(C)(=O)=O)n3)c(C(F)(F)F)c2)n1 |
|---|
| InChI | InChI=1S/C21H22F3N5O4S2/c1-5-33-17-10-25-9-15(26-17)12-6-7-14(13(8-12)21(22,23)24)27-18(30)20(2,3)16-11-34-19(28-16)29-35(4,31)32/h6-11H,5H2,1-4H3,(H,27,30)(H,28,29) |
|---|
| InChIKey | QRVSLTBTIMWBOK-UHFFFAOYSA-N |
|---|
| XLogP | 4.31 |
|---|
| TPSA | 123.17 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 8 |
|---|
| Heavy Atoms | 35 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 529.57 |
| LogP ≤ 5 | 4.31 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze N-[4-(6-ethoxypyrazin-2-yl)-2-(trifluoromethyl)phenyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methylpropanamide 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 N-[4-(6-ethoxypyrazin-2-yl)-2-(trifluoromethyl)phenyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methylpropanamide?
The IUPAC name of N-[4-(6-ethoxypyrazin-2-yl)-2-(trifluoromethyl)phenyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methylpropanamide (CID 155163018) is N-[4-(6-ethoxypyrazin-2-yl)-2-(trifluoromethyl)phenyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(6-ethoxypyrazin-2-yl)-2-(trifluoromethyl)phenyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-(6-ethoxypyrazin-2-yl)-2-(trifluoromethyl)phenyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methylpropanamide is CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3csc(NS(C)(=O)=O)n3)c(C(F)(F)F)c2)n1.
What is the InChIKey of N-[4-(6-ethoxypyrazin-2-yl)-2-(trifluoromethyl)phenyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methylpropanamide?
The InChIKey is QRVSLTBTIMWBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O4S2/c1-5-33-17-10-25-9-15(26-17)12-6-7-14(13(8-12)21(22,23)24)27-18(30)20(2,3)16-11-34-19(28-16)29-35(4,31)32/h6-11H,5H2,1-4H3,(H,27,30)(H,28,29).
What are the key properties of N-[4-(6-ethoxypyrazin-2-yl)-2-(trifluoromethyl)phenyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methylpropanamide?
N-[4-(6-ethoxypyrazin-2-yl)-2-(trifluoromethyl)phenyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methylpropanamide has a molecular weight of 529.57 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-ethoxypyrazin-2-yl)-2-(trifluoromethyl)phenyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methylpropanamide is sourced from PubChem (CID 155163018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).