2-hydroxy-N-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide

C10H9N3O3S — CID 135399110

IUPAC2-hydroxy-N-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide
SMILESO=C1CSC(=NNC(=O)c2ccccc2O)N1
InChIInChI=1S/C10H9N3O3S/c14-7-4-2-1-3-6(7)9(16)12-13-10-11-8(15)5-17-10/h1-4,14H,5H2,(H,12,16)(H,11,13,15)
InChIKeyZXRLWMKNNNFSMF-UHFFFAOYSA-N
MW251.27 g/mol
LogP0.26
Rot. Bonds2

About 2-hydroxy-N-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide

2-hydroxy-N-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide (PubChem CID 135399110) has the molecular formula C10H9N3O3S and a molecular weight of 251.27 g/mol. Its IUPAC name is 2-hydroxy-N-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide
PubChem CID135399110
Molecular FormulaC10H9N3O3S
Molecular Weight251.27 g/mol
Exact Mass251.04
IUPAC Name2-hydroxy-N-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide
SMILESO=C1CSC(=NNC(=O)c2ccccc2O)N1
InChIInChI=1S/C10H9N3O3S/c14-7-4-2-1-3-6(7)9(16)12-13-10-11-8(15)5-17-10/h1-4,14H,5H2,(H,12,16)(H,11,13,15)
InChIKeyZXRLWMKNNNFSMF-UHFFFAOYSA-N
XLogP0.26
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 2-hydroxy-N-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide?
The IUPAC name of 2-hydroxy-N-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide (CID 135399110) is 2-hydroxy-N-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide?
The canonical SMILES for 2-hydroxy-N-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide is O=C1CSC(=NNC(=O)c2ccccc2O)N1.
What is the InChIKey of 2-hydroxy-N-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide?
The InChIKey is ZXRLWMKNNNFSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S/c14-7-4-2-1-3-6(7)9(16)12-13-10-11-8(15)5-17-10/h1-4,14H,5H2,(H,12,16)(H,11,13,15).
What are the key properties of 2-hydroxy-N-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide?
2-hydroxy-N-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide has a molecular weight of 251.27 g/mol, XLogP of 0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide is sourced from PubChem (CID 135399110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).