About (5Z)-5-(acridin-9-ylmethylidene)-3-[(3-chlorophenyl)methyl]-4-sulfanylidene-1,3-thiazolidin-2-one
(5Z)-5-(acridin-9-ylmethylidene)-3-[(3-chlorophenyl)methyl]-4-sulfanylidene-1,3-thiazolidin-2-one (PubChem CID 23651673) has the molecular formula C24H15ClN2OS2
and a molecular weight of 446.98 g/mol. Its IUPAC name is (5Z)-5-(acridin-9-ylmethylidene)-3-[(3-chlorophenyl)methyl]-4-sulfanylidene-1,3-thiazolidin-2-one.
Molecular Properties
| Compound Name | (5Z)-5-(acridin-9-ylmethylidene)-3-[(3-chlorophenyl)methyl]-4-sulfanylidene-1,3-thiazolidin-2-one |
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| PubChem CID | 23651673 |
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| Molecular Formula | C24H15ClN2OS2 |
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| Molecular Weight | 446.98 g/mol |
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| Exact Mass | 446.03 |
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| IUPAC Name | (5Z)-5-(acridin-9-ylmethylidene)-3-[(3-chlorophenyl)methyl]-4-sulfanylidene-1,3-thiazolidin-2-one |
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| SMILES | O=C1S/C(=C\c2c3ccccc3nc3ccccc23)C(=S)N1Cc1cccc(Cl)c1 |
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| InChI | InChI=1S/C24H15ClN2OS2/c25-16-7-5-6-15(12-16)14-27-23(29)22(30-24(27)28)13-19-17-8-1-3-10-20(17)26-21-11-4-2-9-18(19)21/h1-13H,14H2/b22-13- |
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| InChIKey | GHHDCKHMFLOJQN-XKZIYDEJSA-N |
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| XLogP | 7.08 |
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| TPSA | 33.20 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 30 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 446.98 |
| LogP ≤ 5 | 7.08 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'ene_rhod_E(8)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (5Z)-5-(acridin-9-ylmethylidene)-3-[(3-chlorophenyl)methyl]-4-sulfanylidene-1,3-thiazolidin-2-one?
The IUPAC name of (5Z)-5-(acridin-9-ylmethylidene)-3-[(3-chlorophenyl)methyl]-4-sulfanylidene-1,3-thiazolidin-2-one (CID 23651673) is (5Z)-5-(acridin-9-ylmethylidene)-3-[(3-chlorophenyl)methyl]-4-sulfanylidene-1,3-thiazolidin-2-one.
What is the SMILES notation for (5Z)-5-(acridin-9-ylmethylidene)-3-[(3-chlorophenyl)methyl]-4-sulfanylidene-1,3-thiazolidin-2-one?
The canonical SMILES for (5Z)-5-(acridin-9-ylmethylidene)-3-[(3-chlorophenyl)methyl]-4-sulfanylidene-1,3-thiazolidin-2-one is O=C1S/C(=C\c2c3ccccc3nc3ccccc23)C(=S)N1Cc1cccc(Cl)c1.
What is the InChIKey of (5Z)-5-(acridin-9-ylmethylidene)-3-[(3-chlorophenyl)methyl]-4-sulfanylidene-1,3-thiazolidin-2-one?
The InChIKey is GHHDCKHMFLOJQN-XKZIYDEJSA-N. The full InChI is InChI=1S/C24H15ClN2OS2/c25-16-7-5-6-15(12-16)14-27-23(29)22(30-24(27)28)13-19-17-8-1-3-10-20(17)26-21-11-4-2-9-18(19)21/h1-13H,14H2/b22-13-.
What are the key properties of (5Z)-5-(acridin-9-ylmethylidene)-3-[(3-chlorophenyl)methyl]-4-sulfanylidene-1,3-thiazolidin-2-one?
(5Z)-5-(acridin-9-ylmethylidene)-3-[(3-chlorophenyl)methyl]-4-sulfanylidene-1,3-thiazolidin-2-one has a molecular weight of 446.98 g/mol, XLogP of 7.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(acridin-9-ylmethylidene)-3-[(3-chlorophenyl)methyl]-4-sulfanylidene-1,3-thiazolidin-2-one is sourced from PubChem (CID 23651673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).