N-hydroxy-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide

C15H18N4O4S2 — CID 11417689

IUPACN-hydroxy-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ncc(C(=O)NO)s3)CC2)cc1
InChIInChI=1S/C15H18N4O4S2/c1-11-2-4-12(5-3-11)25(22,23)19-8-6-18(7-9-19)15-16-10-13(24-15)14(20)17-21/h2-5,10,21H,6-9H2,1H3,(H,17,20)
InChIKeyOJOGBBGUOSVPJB-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.08
Rot. Bonds4

About N-hydroxy-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide

N-hydroxy-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 11417689) has the molecular formula C15H18N4O4S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-hydroxy-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID11417689
Molecular FormulaC15H18N4O4S2
Molecular Weight382.47 g/mol
Exact Mass382.08
IUPAC NameN-hydroxy-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ncc(C(=O)NO)s3)CC2)cc1
InChIInChI=1S/C15H18N4O4S2/c1-11-2-4-12(5-3-11)25(22,23)19-8-6-18(7-9-19)15-16-10-13(24-15)14(20)17-21/h2-5,10,21H,6-9H2,1H3,(H,17,20)
InChIKeyOJOGBBGUOSVPJB-UHFFFAOYSA-N
XLogP1.08
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2-[4-(Biphenyl-4-sulfonyl)-piperazin-1-yl]-thiazole-5-carboxylic acid hydroxyamide
CID 11316731
N-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 11362097
(2E)-N-Hydroxy-3-[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-5-thiazolyl]-2-propenamide
CID 11374190
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide
CID 11462782
2-[4-(4-Fluoro-benzenesulfonyl)-piperazin-1-yl]-thiazole-5-carboxylic acid hydroxyamide
CID 11485984
(E)-3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide
CID 11545665
(E)-N-hydroxy-3-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide
CID 11603909
N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 11647693
2-[4-(4-Trifluoromethyl-benzenesulfonyl)-piperazin-1-yl]-thiazole-5-carboxylic acid hydroxyamide
CID 11487392
(E)-3-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide
CID 11531687
(E)-N-hydroxy-3-[2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide
CID 11547141
2-(4-benzylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide
CID 11631108

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-hydroxy-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide (CID 11417689) is N-hydroxy-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide is Cc1ccc(S(=O)(=O)N2CCN(c3ncc(C(=O)NO)s3)CC2)cc1.
What is the InChIKey of N-hydroxy-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is OJOGBBGUOSVPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S2/c1-11-2-4-12(5-3-11)25(22,23)19-8-6-18(7-9-19)15-16-10-13(24-15)14(20)17-21/h2-5,10,21H,6-9H2,1H3,(H,17,20).
What are the key properties of N-hydroxy-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide?
N-hydroxy-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11417689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).