About N-hydroxy-2-[4-[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide
N-hydroxy-2-[4-[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 11340977) has the molecular formula C17H18N6O4S4
and a molecular weight of 498.64 g/mol. Its IUPAC name is N-hydroxy-2-[4-[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide.
Molecular Properties
| Compound Name | N-hydroxy-2-[4-[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide |
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| PubChem CID | 11340977 |
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| Molecular Formula | C17H18N6O4S4 |
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| Molecular Weight | 498.64 g/mol |
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| Exact Mass | 498.03 |
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| IUPAC Name | N-hydroxy-2-[4-[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide |
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| SMILES | CSc1nccc(-c2ccc(S(=O)(=O)N3CCN(c4ncc(C(=O)NO)s4)CC3)s2)n1 |
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| InChI | InChI=1S/C17H18N6O4S4/c1-28-16-18-5-4-11(20-16)12-2-3-14(29-12)31(26,27)23-8-6-22(7-9-23)17-19-10-13(30-17)15(24)21-25/h2-5,10,25H,6-9H2,1H3,(H,21,24) |
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| InChIKey | RHKBZPFMPOLACV-UHFFFAOYSA-N |
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| XLogP | 2.01 |
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| TPSA | 128.62 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 31 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 498.64 |
| LogP ≤ 5 | 2.01 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 11 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-hydroxy-2-[4-[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-hydroxy-2-[4-[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide (CID 11340977) is N-hydroxy-2-[4-[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide is CSc1nccc(-c2ccc(S(=O)(=O)N3CCN(c4ncc(C(=O)NO)s4)CC3)s2)n1.
What is the InChIKey of N-hydroxy-2-[4-[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is RHKBZPFMPOLACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O4S4/c1-28-16-18-5-4-11(20-16)12-2-3-14(29-12)31(26,27)23-8-6-22(7-9-23)17-19-10-13(30-17)15(24)21-25/h2-5,10,25H,6-9H2,1H3,(H,21,24).
What are the key properties of N-hydroxy-2-[4-[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide?
N-hydroxy-2-[4-[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 498.64 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11340977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).