About (2Z)-2-cyano-2-[3-(4-ethylphenyl)-5-[(2-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide
(2Z)-2-cyano-2-[3-(4-ethylphenyl)-5-[(2-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide (PubChem CID 18875236) has the molecular formula C26H22FN3O3S
and a molecular weight of 475.55 g/mol. Its IUPAC name is (2Z)-2-cyano-2-[3-(4-ethylphenyl)-5-[(2-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide.
Molecular Properties
| Compound Name | (2Z)-2-cyano-2-[3-(4-ethylphenyl)-5-[(2-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide |
|---|
| PubChem CID | 18875236 |
|---|
| Molecular Formula | C26H22FN3O3S |
|---|
| Molecular Weight | 475.55 g/mol |
|---|
| Exact Mass | 475.14 |
|---|
| IUPAC Name | (2Z)-2-cyano-2-[3-(4-ethylphenyl)-5-[(2-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide |
|---|
| SMILES | CCc1ccc(N2C(=O)C(Cc3ccccc3F)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 |
|---|
| InChI | InChI=1S/C26H22FN3O3S/c1-2-17-9-11-19(12-10-17)30-25(32)23(14-18-6-3-4-8-22(18)27)34-26(30)21(15-28)24(31)29-16-20-7-5-13-33-20/h3-13,23H,2,14,16H2,1H3,(H,29,31)/b26-21- |
|---|
| InChIKey | VKFIQWBVRUJWBN-QLYXXIJNSA-N |
|---|
| XLogP | 4.72 |
|---|
| TPSA | 86.34 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 5 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 34 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 475.55 |
| LogP ≤ 5 | 4.72 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
|---|
Analyze (2Z)-2-cyano-2-[3-(4-ethylphenyl)-5-[(2-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide 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 (2Z)-2-cyano-2-[3-(4-ethylphenyl)-5-[(2-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of (2Z)-2-cyano-2-[3-(4-ethylphenyl)-5-[(2-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide (CID 18875236) is (2Z)-2-cyano-2-[3-(4-ethylphenyl)-5-[(2-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for (2Z)-2-cyano-2-[3-(4-ethylphenyl)-5-[(2-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for (2Z)-2-cyano-2-[3-(4-ethylphenyl)-5-[(2-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide is CCc1ccc(N2C(=O)C(Cc3ccccc3F)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1.
What is the InChIKey of (2Z)-2-cyano-2-[3-(4-ethylphenyl)-5-[(2-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is VKFIQWBVRUJWBN-QLYXXIJNSA-N. The full InChI is InChI=1S/C26H22FN3O3S/c1-2-17-9-11-19(12-10-17)30-25(32)23(14-18-6-3-4-8-22(18)27)34-26(30)21(15-28)24(31)29-16-20-7-5-13-33-20/h3-13,23H,2,14,16H2,1H3,(H,29,31)/b26-21-.
What are the key properties of (2Z)-2-cyano-2-[3-(4-ethylphenyl)-5-[(2-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide?
(2Z)-2-cyano-2-[3-(4-ethylphenyl)-5-[(2-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 475.55 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-2-[3-(4-ethylphenyl)-5-[(2-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 18875236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).