4-[3-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoylamino]-2-hydroxybenzoic acid

C20H15FN2O6S — CID 6227048

IUPAC4-[3-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoylamino]-2-hydroxybenzoic acid
SMILESO=C(CCN1C(=O)S/C(=C\c2ccccc2F)C1=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C20H15FN2O6S/c21-14-4-2-1-3-11(14)9-16-18(26)23(20(29)30-16)8-7-17(25)22-12-5-6-13(19(27)28)15(24)10-12/h1-6,9-10,24H,7-8H2,(H,22,25)(H,27,28)/b16-9-
InChIKeyUSUDUKMSLUFHDE-SXGWCWSVSA-N
MW430.41 g/mol
LogP3.29
Rot. Bonds6

About 4-[3-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoylamino]-2-hydroxybenzoic acid

4-[3-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoylamino]-2-hydroxybenzoic acid (PubChem CID 6227048) has the molecular formula C20H15FN2O6S and a molecular weight of 430.41 g/mol. Its IUPAC name is 4-[3-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoylamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[3-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoylamino]-2-hydroxybenzoic acid
PubChem CID6227048
Molecular FormulaC20H15FN2O6S
Molecular Weight430.41 g/mol
Exact Mass430.06
IUPAC Name4-[3-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoylamino]-2-hydroxybenzoic acid
SMILESO=C(CCN1C(=O)S/C(=C\c2ccccc2F)C1=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C20H15FN2O6S/c21-14-4-2-1-3-11(14)9-16-18(26)23(20(29)30-16)8-7-17(25)22-12-5-6-13(19(27)28)15(24)10-12/h1-6,9-10,24H,7-8H2,(H,22,25)(H,27,28)/b16-9-
InChIKeyUSUDUKMSLUFHDE-SXGWCWSVSA-N
XLogP3.29
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.41
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 4-[3-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoylamino]-2-hydroxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]-2-hydroxybenzoic acid
CID 4898394
5-[3-[5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-2-hydroxybenzoic acid
CID 4757361
5-[3-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]propanoylamino]-2-hydroxybenzoic acid
CID 7642658
N-(3,4-dimethylphenyl)-3-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide
CID 7559403
2-hydroxy-4-[[2-[(5Z)-5-[(3-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]amino]benzoic acid
CID 27425043
2-[3-[(5E)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid
CID 34886639
4-benzamido-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]benzamide
CID 24658559
N-(4-chlorophenyl)-2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 16632000
N-(4-chlorophenyl)-2-[(5E)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 124654366
3-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-fluorophenyl)propanamide
CID 1382951
4-[3-[5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-2-hydroxybenzoic acid
CID 4117568
N-(1,3-benzodioxol-5-yl)-3-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide
CID 6202135

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoylamino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[3-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoylamino]-2-hydroxybenzoic acid (CID 6227048) is 4-[3-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoylamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[3-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoylamino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[3-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoylamino]-2-hydroxybenzoic acid is O=C(CCN1C(=O)S/C(=C\c2ccccc2F)C1=O)Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 4-[3-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoylamino]-2-hydroxybenzoic acid?
The InChIKey is USUDUKMSLUFHDE-SXGWCWSVSA-N. The full InChI is InChI=1S/C20H15FN2O6S/c21-14-4-2-1-3-11(14)9-16-18(26)23(20(29)30-16)8-7-17(25)22-12-5-6-13(19(27)28)15(24)10-12/h1-6,9-10,24H,7-8H2,(H,22,25)(H,27,28)/b16-9-.
What are the key properties of 4-[3-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoylamino]-2-hydroxybenzoic acid?
4-[3-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoylamino]-2-hydroxybenzoic acid has a molecular weight of 430.41 g/mol, XLogP of 3.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoylamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 6227048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).