About (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[5-[(4-methylphenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
(2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[5-[(4-methylphenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 2919046) has the molecular formula C25H21N3O3S
and a molecular weight of 443.53 g/mol. Its IUPAC name is (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[5-[(4-methylphenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide.
Molecular Properties
| Compound Name | (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[5-[(4-methylphenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide |
|---|
| PubChem CID | 2919046 |
|---|
| Molecular Formula | C25H21N3O3S |
|---|
| Molecular Weight | 443.53 g/mol |
|---|
| Exact Mass | 443.13 |
|---|
| IUPAC Name | (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[5-[(4-methylphenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide |
|---|
| SMILES | Cc1ccc(CC2S/C(=C(/C#N)C(=O)NCc3ccco3)N(c3ccccc3)C2=O)cc1 |
|---|
| InChI | InChI=1S/C25H21N3O3S/c1-17-9-11-18(12-10-17)14-22-24(30)28(19-6-3-2-4-7-19)25(32-22)21(15-26)23(29)27-16-20-8-5-13-31-20/h2-13,22H,14,16H2,1H3,(H,27,29)/b25-21- |
|---|
| InChIKey | BZKNPUIPWQCLJR-DAFNUICNSA-N |
|---|
| XLogP | 4.33 |
|---|
| TPSA | 86.34 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 5 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 32 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 443.53 |
| LogP ≤ 5 | 4.33 |
| 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-N-(furan-2-ylmethyl)-2-[5-[(4-methylphenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]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-N-(furan-2-ylmethyl)-2-[5-[(4-methylphenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide?
The IUPAC name of (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[5-[(4-methylphenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide (CID 2919046) is (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[5-[(4-methylphenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide.
What is the SMILES notation for (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[5-[(4-methylphenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide?
The canonical SMILES for (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[5-[(4-methylphenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide is Cc1ccc(CC2S/C(=C(/C#N)C(=O)NCc3ccco3)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[5-[(4-methylphenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide?
The InChIKey is BZKNPUIPWQCLJR-DAFNUICNSA-N. The full InChI is InChI=1S/C25H21N3O3S/c1-17-9-11-18(12-10-17)14-22-24(30)28(19-6-3-2-4-7-19)25(32-22)21(15-26)23(29)27-16-20-8-5-13-31-20/h2-13,22H,14,16H2,1H3,(H,27,29)/b25-21-.
What are the key properties of (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[5-[(4-methylphenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide?
(2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[5-[(4-methylphenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 443.53 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[5-[(4-methylphenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 2919046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).