About (5Z)-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
(5Z)-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 5292401) has the molecular formula C24H16F4N2O2S
and a molecular weight of 472.46 g/mol. Its IUPAC name is (5Z)-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
Molecular Properties
| Compound Name | (5Z)-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one |
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| PubChem CID | 5292401 |
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| Molecular Formula | C24H16F4N2O2S |
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| Molecular Weight | 472.46 g/mol |
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| Exact Mass | 472.09 |
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| IUPAC Name | (5Z)-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one |
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| SMILES | [H]/N=C1\S/C(=C\c2ccc(OCc3ccccc3F)cc2)C(=O)N1c1ccccc1C(F)(F)F |
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| InChI | InChI=1S/C24H16F4N2O2S/c25-19-7-3-1-5-16(19)14-32-17-11-9-15(10-12-17)13-21-22(31)30(23(29)33-21)20-8-4-2-6-18(20)24(26,27)28/h1-13,29H,14H2/b21-13-,29-23- |
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| InChIKey | ZROBDLMNLUHIGD-OHPCYOGRSA-N |
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| XLogP | 6.48 |
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| TPSA | 53.39 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 472.46 |
| LogP ≤ 5 | 6.48 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (5Z)-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 5292401) is (5Z)-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2ccc(OCc3ccccc3F)cc2)C(=O)N1c1ccccc1C(F)(F)F.
What is the InChIKey of (5Z)-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is ZROBDLMNLUHIGD-OHPCYOGRSA-N. The full InChI is InChI=1S/C24H16F4N2O2S/c25-19-7-3-1-5-16(19)14-32-17-11-9-15(10-12-17)13-21-22(31)30(23(29)33-21)20-8-4-2-6-18(20)24(26,27)28/h1-13,29H,14H2/b21-13-,29-23-.
What are the key properties of (5Z)-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
(5Z)-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 472.46 g/mol, XLogP of 6.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 5292401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).