N-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole-5-carboxamide

C18H18N4O4S2 — CID 11362097

IUPACN-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)s1
InChIInChI=1S/C18H18N4O4S2/c23-17(20-24)16-12-19-18(27-16)21-7-9-22(10-8-21)28(25,26)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11-12,24H,7-10H2,(H,20,23)
InChIKeySGGNCDFJUATHLZ-UHFFFAOYSA-N
MW418.50 g/mol
LogP1.93
Rot. Bonds4

About N-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole-5-carboxamide

N-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole-5-carboxamide (PubChem CID 11362097) has the molecular formula C18H18N4O4S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
PubChem CID11362097
Molecular FormulaC18H18N4O4S2
Molecular Weight418.50 g/mol
Exact Mass418.08
IUPAC NameN-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)s1
InChIInChI=1S/C18H18N4O4S2/c23-17(20-24)16-12-19-18(27-16)21-7-9-22(10-8-21)28(25,26)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11-12,24H,7-10H2,(H,20,23)
InChIKeySGGNCDFJUATHLZ-UHFFFAOYSA-N
XLogP1.93
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 51.93
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole-5-carboxamide (CID 11362097) is N-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole-5-carboxamide is O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)s1.
What is the InChIKey of N-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is SGGNCDFJUATHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S2/c23-17(20-24)16-12-19-18(27-16)21-7-9-22(10-8-21)28(25,26)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11-12,24H,7-10H2,(H,20,23).
What are the key properties of N-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
N-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 1.93, 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-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11362097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).