About (2Z)-2-[(E)-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enylidene]hydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
(2Z)-2-[(E)-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enylidene]hydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one (PubChem CID 90675435) has the molecular formula C13H12N4O3S2
and a molecular weight of 336.40 g/mol. Its IUPAC name is (2Z)-2-[(E)-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enylidene]hydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one.
Molecular Properties
| Compound Name | (2Z)-2-[(E)-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enylidene]hydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one |
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| PubChem CID | 90675435 |
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| Molecular Formula | C13H12N4O3S2 |
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| Molecular Weight | 336.40 g/mol |
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| Exact Mass | 336.04 |
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| IUPAC Name | (2Z)-2-[(E)-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enylidene]hydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one |
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| SMILES | C=CCN1C(=O)CS/C1=N\N=C\C=C\c1ccc([N+](=O)[O-])s1 |
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| InChI | InChI=1S/C13H12N4O3S2/c1-2-8-16-11(18)9-21-13(16)15-14-7-3-4-10-5-6-12(22-10)17(19)20/h2-7H,1,8-9H2/b4-3+,14-7+,15-13- |
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| InChIKey | WFSYYFBVPXEWFF-IOSAJRKSSA-N |
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| XLogP | 2.77 |
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| TPSA | 88.17 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 22 |
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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 | 336.40 |
| LogP ≤ 5 | 2.77 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_imine_B(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Analyze (2Z)-2-[(E)-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enylidene]hydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one with MolForge
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Frequently Asked Questions
What is the IUPAC name of (2Z)-2-[(E)-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enylidene]hydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enylidene]hydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one (CID 90675435) is (2Z)-2-[(E)-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enylidene]hydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enylidene]hydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enylidene]hydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one is C=CCN1C(=O)CS/C1=N\N=C\C=C\c1ccc([N+](=O)[O-])s1.
What is the InChIKey of (2Z)-2-[(E)-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enylidene]hydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The InChIKey is WFSYYFBVPXEWFF-IOSAJRKSSA-N. The full InChI is InChI=1S/C13H12N4O3S2/c1-2-8-16-11(18)9-21-13(16)15-14-7-3-4-10-5-6-12(22-10)17(19)20/h2-7H,1,8-9H2/b4-3+,14-7+,15-13-.
What are the key properties of (2Z)-2-[(E)-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enylidene]hydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enylidene]hydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one has a molecular weight of 336.40 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enylidene]hydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 90675435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).