About (2Z)-2-cyano-2-[(5Z)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenoxyphenyl)acetamide
(2Z)-2-cyano-2-[(5Z)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenoxyphenyl)acetamide (PubChem CID 2369132) has the molecular formula C30H19FN4O3S
and a molecular weight of 534.57 g/mol. Its IUPAC name is (2Z)-2-cyano-2-[(5Z)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenoxyphenyl)acetamide.
Molecular Properties
| Compound Name | (2Z)-2-cyano-2-[(5Z)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenoxyphenyl)acetamide |
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| PubChem CID | 2369132 |
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| Molecular Formula | C30H19FN4O3S |
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| Molecular Weight | 534.57 g/mol |
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| Exact Mass | 534.12 |
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| IUPAC Name | (2Z)-2-cyano-2-[(5Z)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenoxyphenyl)acetamide |
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| SMILES | N#C/C(C(=O)Nc1ccccc1Oc1ccccc1)=c1/s/c(=C\c2ccccn2)c(=O)n1-c1ccc(F)cc1 |
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| InChI | InChI=1S/C30H19FN4O3S/c31-20-13-15-22(16-14-20)35-29(37)27(18-21-8-6-7-17-33-21)39-30(35)24(19-32)28(36)34-25-11-4-5-12-26(25)38-23-9-2-1-3-10-23/h1-18H,(H,34,36)/b27-18-,30-24- |
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| InChIKey | GFSBSOSKTNSUKL-OFSPFINJSA-N |
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| XLogP | 4.37 |
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| TPSA | 97.01 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 534.57 |
| LogP ≤ 5 | 4.37 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze (2Z)-2-cyano-2-[(5Z)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenoxyphenyl)acetamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of (2Z)-2-cyano-2-[(5Z)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of (2Z)-2-cyano-2-[(5Z)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenoxyphenyl)acetamide (CID 2369132) is (2Z)-2-cyano-2-[(5Z)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for (2Z)-2-cyano-2-[(5Z)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for (2Z)-2-cyano-2-[(5Z)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenoxyphenyl)acetamide is N#C/C(C(=O)Nc1ccccc1Oc1ccccc1)=c1/s/c(=C\c2ccccn2)c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of (2Z)-2-cyano-2-[(5Z)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenoxyphenyl)acetamide?
The InChIKey is GFSBSOSKTNSUKL-OFSPFINJSA-N. The full InChI is InChI=1S/C30H19FN4O3S/c31-20-13-15-22(16-14-20)35-29(37)27(18-21-8-6-7-17-33-21)39-30(35)24(19-32)28(36)34-25-11-4-5-12-26(25)38-23-9-2-1-3-10-23/h1-18H,(H,34,36)/b27-18-,30-24-.
What are the key properties of (2Z)-2-cyano-2-[(5Z)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenoxyphenyl)acetamide?
(2Z)-2-cyano-2-[(5Z)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenoxyphenyl)acetamide has a molecular weight of 534.57 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-2-[(5Z)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 2369132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).