About (2Z)-3-(4-methoxyphenyl)-2-[(E)-1-[5-methyl-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazol-4-yl]ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
(2Z)-3-(4-methoxyphenyl)-2-[(E)-1-[5-methyl-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazol-4-yl]ethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135515217) has the molecular formula C23H23N5O2S2
and a molecular weight of 465.60 g/mol. Its IUPAC name is (2Z)-3-(4-methoxyphenyl)-2-[(E)-1-[5-methyl-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazol-4-yl]ethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
Molecular Properties
| Compound Name | (2Z)-3-(4-methoxyphenyl)-2-[(E)-1-[5-methyl-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazol-4-yl]ethylidenehydrazinylidene]-1,3-thiazolidin-4-one |
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| PubChem CID | 135515217 |
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| Molecular Formula | C23H23N5O2S2 |
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| Molecular Weight | 465.60 g/mol |
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| Exact Mass | 465.13 |
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| IUPAC Name | (2Z)-3-(4-methoxyphenyl)-2-[(E)-1-[5-methyl-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazol-4-yl]ethylidenehydrazinylidene]-1,3-thiazolidin-4-one |
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| SMILES | COc1ccc(N2C(=O)CS/C2=N\N=C(/C)c2c(C)[nH]c(=S)n2-c2ccc(C)cc2)cc1 |
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| InChI | InChI=1S/C23H23N5O2S2/c1-14-5-7-18(8-6-14)28-21(15(2)24-22(28)31)16(3)25-26-23-27(20(29)13-32-23)17-9-11-19(30-4)12-10-17/h5-12H,13H2,1-4H3,(H,24,31)/b25-16+,26-23- |
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| InChIKey | ZQCAEHXUXPTOIN-IYLGLBRYSA-N |
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| XLogP | 5.02 |
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| TPSA | 74.98 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 32 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 465.60 |
| LogP ≤ 5 | 5.02 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'} |
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Analyze (2Z)-3-(4-methoxyphenyl)-2-[(E)-1-[5-methyl-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazol-4-yl]ethylidenehydrazinylidene]-1,3-thiazolidin-4-one with MolForge
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Frequently Asked Questions
What is the IUPAC name of (2Z)-3-(4-methoxyphenyl)-2-[(E)-1-[5-methyl-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazol-4-yl]ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-3-(4-methoxyphenyl)-2-[(E)-1-[5-methyl-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazol-4-yl]ethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135515217) is (2Z)-3-(4-methoxyphenyl)-2-[(E)-1-[5-methyl-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazol-4-yl]ethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-3-(4-methoxyphenyl)-2-[(E)-1-[5-methyl-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazol-4-yl]ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-3-(4-methoxyphenyl)-2-[(E)-1-[5-methyl-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazol-4-yl]ethylidenehydrazinylidene]-1,3-thiazolidin-4-one is COc1ccc(N2C(=O)CS/C2=N\N=C(/C)c2c(C)[nH]c(=S)n2-c2ccc(C)cc2)cc1.
What is the InChIKey of (2Z)-3-(4-methoxyphenyl)-2-[(E)-1-[5-methyl-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazol-4-yl]ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is ZQCAEHXUXPTOIN-IYLGLBRYSA-N. The full InChI is InChI=1S/C23H23N5O2S2/c1-14-5-7-18(8-6-14)28-21(15(2)24-22(28)31)16(3)25-26-23-27(20(29)13-32-23)17-9-11-19(30-4)12-10-17/h5-12H,13H2,1-4H3,(H,24,31)/b25-16+,26-23-.
What are the key properties of (2Z)-3-(4-methoxyphenyl)-2-[(E)-1-[5-methyl-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazol-4-yl]ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-3-(4-methoxyphenyl)-2-[(E)-1-[5-methyl-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazol-4-yl]ethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 465.60 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-(4-methoxyphenyl)-2-[(E)-1-[5-methyl-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazol-4-yl]ethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135515217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).