2-hydroxy-5-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid

C10H8N2O4S — CID 137163252

IUPAC2-hydroxy-5-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid
SMILESO=C1CS/C(=N\c2ccc(O)c(C(=O)O)c2)N1
InChIInChI=1S/C10H8N2O4S/c13-7-2-1-5(3-6(7)9(15)16)11-10-12-8(14)4-17-10/h1-3,13H,4H2,(H,15,16)(H,11,12,14)
InChIKeyFEHCZVPFFRMBBI-UHFFFAOYSA-N
MW252.25 g/mol
LogP0.94
Rot. Bonds2

About 2-hydroxy-5-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid

2-hydroxy-5-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid (PubChem CID 137163252) has the molecular formula C10H8N2O4S and a molecular weight of 252.25 g/mol. Its IUPAC name is 2-hydroxy-5-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid
PubChem CID137163252
Molecular FormulaC10H8N2O4S
Molecular Weight252.25 g/mol
Exact Mass252.02
IUPAC Name2-hydroxy-5-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid
SMILESO=C1CS/C(=N\c2ccc(O)c(C(=O)O)c2)N1
InChIInChI=1S/C10H8N2O4S/c13-7-2-1-5(3-6(7)9(15)16)11-10-12-8(14)4-17-10/h1-3,13H,4H2,(H,15,16)(H,11,12,14)
InChIKeyFEHCZVPFFRMBBI-UHFFFAOYSA-N
XLogP0.94
TPSA98.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-5-[[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 135948482
2-hydroxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]benzoic acid
CID 168574666
5-[[(5Z)-5-[(3-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-2-hydroxybenzoic acid
CID 135948509
2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135411286
2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one
CID 135468637
2-hydroxy-5-[[(5Z)-4-oxo-5-[(Z)-3-phenylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 137166110
2-hydroxy-N-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide
CID 135399110
2-hydroxy-5-[[(5Z)-5-[(3-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 135948490
2-methylimino-1,3-thiazolidin-4-one
CID 135778872
5-[[(5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-2-hydroxybenzoic acid
CID 135948491
2-hydroxy-5-[[(5Z)-4-oxo-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 135948501
5-[[4-[2-[4-[(3-carboxy-4-hydroxyphenyl)diazenyl]phenyl]ethyl]phenyl]diazenyl]-2-hydroxybenzoic acid
CID 177409080

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid?
The IUPAC name of 2-hydroxy-5-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid (CID 137163252) is 2-hydroxy-5-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid is O=C1CS/C(=N\c2ccc(O)c(C(=O)O)c2)N1.
What is the InChIKey of 2-hydroxy-5-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid?
The InChIKey is FEHCZVPFFRMBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4S/c13-7-2-1-5(3-6(7)9(15)16)11-10-12-8(14)4-17-10/h1-3,13H,4H2,(H,15,16)(H,11,12,14).
What are the key properties of 2-hydroxy-5-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid?
2-hydroxy-5-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid has a molecular weight of 252.25 g/mol, XLogP of 0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid is sourced from PubChem (CID 137163252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).