About (2Z)-2-cyano-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide
(2Z)-2-cyano-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide (PubChem CID 660717) has the molecular formula C24H18FN3O3S
and a molecular weight of 447.49 g/mol. Its IUPAC name is (2Z)-2-cyano-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide.
Molecular Properties
| Compound Name | (2Z)-2-cyano-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide |
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| PubChem CID | 660717 |
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| Molecular Formula | C24H18FN3O3S |
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| Molecular Weight | 447.49 g/mol |
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| Exact Mass | 447.11 |
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| IUPAC Name | (2Z)-2-cyano-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide |
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| SMILES | N#C/C(C(=O)NCc1ccco1)=C1/SC(Cc2ccc(F)cc2)C(=O)N1c1ccccc1 |
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| InChI | InChI=1S/C24H18FN3O3S/c25-17-10-8-16(9-11-17)13-21-23(30)28(18-5-2-1-3-6-18)24(32-21)20(14-26)22(29)27-15-19-7-4-12-31-19/h1-12,21H,13,15H2,(H,27,29)/b24-20- |
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| InChIKey | YKJYEZBLLVFZOW-GFMRDNFCSA-N |
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| XLogP | 4.16 |
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| TPSA | 86.34 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 32 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 447.49 |
| LogP ≤ 5 | 4.16 |
| 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'} |
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Frequently Asked Questions
What is the IUPAC name of (2Z)-2-cyano-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of (2Z)-2-cyano-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide (CID 660717) is (2Z)-2-cyano-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for (2Z)-2-cyano-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for (2Z)-2-cyano-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide is N#C/C(C(=O)NCc1ccco1)=C1/SC(Cc2ccc(F)cc2)C(=O)N1c1ccccc1.
What is the InChIKey of (2Z)-2-cyano-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is YKJYEZBLLVFZOW-GFMRDNFCSA-N. The full InChI is InChI=1S/C24H18FN3O3S/c25-17-10-8-16(9-11-17)13-21-23(30)28(18-5-2-1-3-6-18)24(32-21)20(14-26)22(29)27-15-19-7-4-12-31-19/h1-12,21H,13,15H2,(H,27,29)/b24-20-.
What are the key properties of (2Z)-2-cyano-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide?
(2Z)-2-cyano-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 447.49 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 660717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).