About N-hydroxy-4-[4-[5-(2-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride
N-hydroxy-4-[4-[5-(2-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride (PubChem CID 162310829) has the molecular formula C20H27ClN4O5S2
and a molecular weight of 503.05 g/mol. Its IUPAC name is N-hydroxy-4-[4-[5-(2-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride.
Molecular Properties
| Compound Name | N-hydroxy-4-[4-[5-(2-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride |
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| PubChem CID | 162310829 |
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| Molecular Formula | C20H27ClN4O5S2 |
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| Molecular Weight | 503.05 g/mol |
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| Exact Mass | 502.11 |
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| IUPAC Name | N-hydroxy-4-[4-[5-(2-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride |
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| SMILES | Cc1ccccc1-c1cnc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCOCC3)CC2)s1.Cl |
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| InChI | InChI=1S/C20H26N4O5S2.ClH/c1-15-4-2-3-5-16(15)17-14-21-19(30-17)23-8-10-24(11-9-23)31(27,28)20(18(25)22-26)6-12-29-13-7-20;/h2-5,14,26H,6-13H2,1H3,(H,22,25);1H |
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| InChIKey | GCFVTBHSVTTWRC-UHFFFAOYSA-N |
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| XLogP | 2.05 |
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| TPSA | 112.07 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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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 | 503.05 |
| LogP ≤ 5 | 2.05 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
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-4-[4-[5-(2-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride?
The IUPAC name of N-hydroxy-4-[4-[5-(2-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride (CID 162310829) is N-hydroxy-4-[4-[5-(2-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride.
What is the SMILES notation for N-hydroxy-4-[4-[5-(2-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride?
The canonical SMILES for N-hydroxy-4-[4-[5-(2-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride is Cc1ccccc1-c1cnc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCOCC3)CC2)s1.Cl.
What is the InChIKey of N-hydroxy-4-[4-[5-(2-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride?
The InChIKey is GCFVTBHSVTTWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5S2.ClH/c1-15-4-2-3-5-16(15)17-14-21-19(30-17)23-8-10-24(11-9-23)31(27,28)20(18(25)22-26)6-12-29-13-7-20;/h2-5,14,26H,6-13H2,1H3,(H,22,25);1H.
What are the key properties of N-hydroxy-4-[4-[5-(2-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride?
N-hydroxy-4-[4-[5-(2-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride has a molecular weight of 503.05 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[5-(2-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 162310829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).