About (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 46236930) has the molecular formula C21H23N3OS
and a molecular weight of 365.50 g/mol. Its IUPAC name is (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one.
Molecular Properties
| Compound Name | (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one |
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| PubChem CID | 46236930 |
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| Molecular Formula | C21H23N3OS |
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| Molecular Weight | 365.50 g/mol |
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| Exact Mass | 365.16 |
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| IUPAC Name | (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one |
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| SMILES | CC(C)/N=C1\S/C(=C\c2ccc(N(C)C)cc2)C(=O)N1c1ccccc1 |
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| InChI | InChI=1S/C21H23N3OS/c1-15(2)22-21-24(18-8-6-5-7-9-18)20(25)19(26-21)14-16-10-12-17(13-11-16)23(3)4/h5-15H,1-4H3/b19-14-,22-21- |
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| InChIKey | ZOTISPPLLHCVQA-IECUCWQJSA-N |
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| XLogP | 4.64 |
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| TPSA | 35.91 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 26 |
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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 | 365.50 |
| LogP ≤ 5 | 4.64 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'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-(dimethylamino)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one (CID 46236930) is (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one is CC(C)/N=C1\S/C(=C\c2ccc(N(C)C)cc2)C(=O)N1c1ccccc1.
What is the InChIKey of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is ZOTISPPLLHCVQA-IECUCWQJSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-15(2)22-21-24(18-8-6-5-7-9-18)20(25)19(26-21)14-16-10-12-17(13-11-16)23(3)4/h5-15H,1-4H3/b19-14-,22-21-.
What are the key properties of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 365.50 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 46236930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).