N-hydroxy-4-[4-[5-(2-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride

C20H27ClN4O5S2 — CID 162310829

IUPACN-hydroxy-4-[4-[5-(2-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride
SMILESCc1ccccc1-c1cnc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCOCC3)CC2)s1.Cl
InChIInChI=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
InChIKeyGCFVTBHSVTTWRC-UHFFFAOYSA-N
MW503.05 g/mol
LogP2.05
Rot. Bonds5

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 NameN-hydroxy-4-[4-[5-(2-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride
PubChem CID162310829
Molecular FormulaC20H27ClN4O5S2
Molecular Weight503.05 g/mol
Exact Mass502.11
IUPAC NameN-hydroxy-4-[4-[5-(2-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride
SMILESCc1ccccc1-c1cnc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCOCC3)CC2)s1.Cl
InChIInChI=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
InChIKeyGCFVTBHSVTTWRC-UHFFFAOYSA-N
XLogP2.05
TPSA112.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.05
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Related Compounds

N-hydroxy-4-[4-(5-pent-1-ynyl-1,3-thiazol-2-yl)piperazin-1-yl]sulfonyloxane-4-carboxamide;2,2,2-trifluoroacetic acid
CID 169430616
N-hydroxy-4-[4-(5-propyl-2-pyridinyl)piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride
CID 162326281
N-hydroxy-4-[4-[4-(4-methylphenyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide
CID 21068940
4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrochloride
CID 169423979
N-hydroxy-4-[4-(3-methyl-4-propan-2-yloxyphenyl)piperazin-1-yl]sulfonyloxane-4-carboxamide
CID 21068925
4-[4-(3-fluoro-4-thiophen-2-ylphenyl)piperazin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrochloride
CID 162329905
4-[4-(3-fluoro-4-phenylphenyl)piperazin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 21068741
4-[4-(5-bromo-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrochloride
CID 162329207
N-hydroxy-4-[4-[4-(2-methylphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide
CID 46891108
N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]piperazin-1-yl]sulfonyloxane-4-carboxamide
CID 21068981
N-hydroxy-4-[4-[4-[4-(trifluoromethoxy)phenyl]phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride
CID 162312650
N-hydroxy-4-[4-(5-pentyl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 10048852

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).