4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-hydroxybenzamide

C11H10N2O4S — CID 156900838

IUPAC4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2C(=O)CSC2=O)cc1
InChIInChI=1S/C11H10N2O4S/c14-9-6-18-11(16)13(9)5-7-1-3-8(4-2-7)10(15)12-17/h1-4,17H,5-6H2,(H,12,15)
InChIKeyDENSNLXOZNTKSB-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.00
Rot. Bonds3

About 4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-hydroxybenzamide

4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-hydroxybenzamide (PubChem CID 156900838) has the molecular formula C11H10N2O4S and a molecular weight of 266.28 g/mol. Its IUPAC name is 4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-hydroxybenzamide
PubChem CID156900838
Molecular FormulaC11H10N2O4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Name4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2C(=O)CSC2=O)cc1
InChIInChI=1S/C11H10N2O4S/c14-9-6-18-11(16)13(9)5-7-1-3-8(4-2-7)10(15)12-17/h1-4,17H,5-6H2,(H,12,15)
InChIKeyDENSNLXOZNTKSB-UHFFFAOYSA-N
XLogP1.00
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

[4-(Pyrrolidine-1-carbonyl)phenyl]methanamine
CID 16227894
N-benzyl-4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzamide
CID 2883426
3-(4-Methylbenzoyl)-1,3-thiazolidine-2-thione
CID 783805
3-Benzoylthiazolidine-2-thione
CID 839954
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(prop-2-en-1-yl)benzamide
CID 3138313
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2-methylpropyl)benzamide
CID 3139076
N-ethyl-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 4998334
N-hydroxy-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 164619182
4-[4-Oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 17201042
N-[2-(2,4-Dioxo-1,3-thiazolidin-3-yl)ethyl]benzenecarboximidic acid
CID 268689
N-hydroxy-4-(pyrrolidin-1-ylmethyl)benzamide
CID 60164828
4-[(N-butylpentanamido)methyl]-N-hydroxybenzamide
CID 169452194

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-hydroxybenzamide (CID 156900838) is 4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(CN2C(=O)CSC2=O)cc1.
What is the InChIKey of 4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-hydroxybenzamide?
The InChIKey is DENSNLXOZNTKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S/c14-9-6-18-11(16)13(9)5-7-1-3-8(4-2-7)10(15)12-17/h1-4,17H,5-6H2,(H,12,15).
What are the key properties of 4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-hydroxybenzamide?
4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-hydroxybenzamide has a molecular weight of 266.28 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-hydroxybenzamide is sourced from PubChem (CID 156900838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).