About 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide (PubChem CID 134153646) has the molecular formula C26H26FN5O2S2
and a molecular weight of 523.66 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide.
Molecular Properties
| Compound Name | 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide |
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| PubChem CID | 134153646 |
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| Molecular Formula | C26H26FN5O2S2 |
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| Molecular Weight | 523.66 g/mol |
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| Exact Mass | 523.15 |
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| IUPAC Name | 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide |
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| SMILES | O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(/N=C2\SCC(=O)N2Cc2cccs2)cc1 |
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| InChI | InChI=1S/C26H26FN5O2S2/c27-19-3-9-22(10-4-19)31-13-11-30(12-14-31)17-24(33)28-20-5-7-21(8-6-20)29-26-32(25(34)18-36-26)16-23-2-1-15-35-23/h1-10,15H,11-14,16-18H2,(H,28,33)/b29-26- |
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| InChIKey | IUQNZKWJQXTNTI-WCTVFOPTSA-N |
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| XLogP | 4.41 |
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| TPSA | 68.25 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 36 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 523.66 |
| LogP ≤ 5 | 4.41 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide (CID 134153646) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide is O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(/N=C2\SCC(=O)N2Cc2cccs2)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?
The InChIKey is IUQNZKWJQXTNTI-WCTVFOPTSA-N. The full InChI is InChI=1S/C26H26FN5O2S2/c27-19-3-9-22(10-4-19)31-13-11-30(12-14-31)17-24(33)28-20-5-7-21(8-6-20)29-26-32(25(34)18-36-26)16-23-2-1-15-35-23/h1-10,15H,11-14,16-18H2,(H,28,33)/b29-26-.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide has a molecular weight of 523.66 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide is sourced from PubChem (CID 134153646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).