5-[[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzene-1,3-dicarboxylic acid

C18H11FN2O5S — CID 135834606

IUPAC5-[[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzene-1,3-dicarboxylic acid
SMILESO=C1N/C(=N\c2cc(C(=O)O)cc(C(=O)O)c2)S/C1=C\c1ccccc1F
InChIInChI=1S/C18H11FN2O5S/c19-13-4-2-1-3-9(13)8-14-15(22)21-18(27-14)20-12-6-10(16(23)24)5-11(7-12)17(25)26/h1-8H,(H,23,24)(H,25,26)(H,20,21,22)/b14-8-
InChIKeyRFIJQGGVUGNUBO-ZSOIEALJSA-N
MW386.36 g/mol
LogP3.11
Rot. Bonds4

About 5-[[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzene-1,3-dicarboxylic acid

5-[[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzene-1,3-dicarboxylic acid (PubChem CID 135834606) has the molecular formula C18H11FN2O5S and a molecular weight of 386.36 g/mol. Its IUPAC name is 5-[[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-[[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzene-1,3-dicarboxylic acid
PubChem CID135834606
Molecular FormulaC18H11FN2O5S
Molecular Weight386.36 g/mol
Exact Mass386.04
IUPAC Name5-[[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzene-1,3-dicarboxylic acid
SMILESO=C1N/C(=N\c2cc(C(=O)O)cc(C(=O)O)c2)S/C1=C\c1ccccc1F
InChIInChI=1S/C18H11FN2O5S/c19-13-4-2-1-3-9(13)8-14-15(22)21-18(27-14)20-12-6-10(16(23)24)5-11(7-12)17(25)26/h1-8H,(H,23,24)(H,25,26)(H,20,21,22)/b14-8-
InChIKeyRFIJQGGVUGNUBO-ZSOIEALJSA-N
XLogP3.11
TPSA116.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-[[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzene-1,3-dicarboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-[[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzene-1,3-dicarboxylic acid (CID 135834606) is 5-[[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-[[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-[[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzene-1,3-dicarboxylic acid is O=C1N/C(=N\c2cc(C(=O)O)cc(C(=O)O)c2)S/C1=C\c1ccccc1F.
What is the InChIKey of 5-[[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzene-1,3-dicarboxylic acid?
The InChIKey is RFIJQGGVUGNUBO-ZSOIEALJSA-N. The full InChI is InChI=1S/C18H11FN2O5S/c19-13-4-2-1-3-9(13)8-14-15(22)21-18(27-14)20-12-6-10(16(23)24)5-11(7-12)17(25)26/h1-8H,(H,23,24)(H,25,26)(H,20,21,22)/b14-8-.
What are the key properties of 5-[[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzene-1,3-dicarboxylic acid?
5-[[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzene-1,3-dicarboxylic acid has a molecular weight of 386.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 135834606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).