N-[(5E)-5-benzylidene-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide

C24H20N2O5S — CID 46910447

IUPACN-[(5E)-5-benzylidene-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide
SMILESCOc1cc(C2S/C(=C/c3ccccc3)C(=O)N2NC(=O)c2ccccc2O)ccc1O
InChIInChI=1S/C24H20N2O5S/c1-31-20-14-16(11-12-19(20)28)24-26(25-22(29)17-9-5-6-10-18(17)27)23(30)21(32-24)13-15-7-3-2-4-8-15/h2-14,24,27-28H,1H3,(H,25,29)/b21-13+
InChIKeyHYHYKPMYDRRDGU-FYJGNVAPSA-N
MW448.50 g/mol
LogP4.07
Rot. Bonds5

About N-[(5E)-5-benzylidene-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide

N-[(5E)-5-benzylidene-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide (PubChem CID 46910447) has the molecular formula C24H20N2O5S and a molecular weight of 448.50 g/mol. Its IUPAC name is N-[(5E)-5-benzylidene-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(5E)-5-benzylidene-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide
PubChem CID46910447
Molecular FormulaC24H20N2O5S
Molecular Weight448.50 g/mol
Exact Mass448.11
IUPAC NameN-[(5E)-5-benzylidene-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide
SMILESCOc1cc(C2S/C(=C/c3ccccc3)C(=O)N2NC(=O)c2ccccc2O)ccc1O
InChIInChI=1S/C24H20N2O5S/c1-31-20-14-16(11-12-19(20)28)24-26(25-22(29)17-9-5-6-10-18(17)27)23(30)21(32-24)13-15-7-3-2-4-8-15/h2-14,24,27-28H,1H3,(H,25,29)/b21-13+
InChIKeyHYHYKPMYDRRDGU-FYJGNVAPSA-N
XLogP4.07
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(5E)-5-benzylidene-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide 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

N-[(5E)-5-benzylidene-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-2-hydroxybenzamide
CID 46910363
N-[(5E)-2-(1,3-benzodioxol-5-yl)-5-benzylidene-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide
CID 46910446
N-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide
CID 5467494
N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 10475979
N,N'-bis[(5E)-2-(4-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]decanediamide
CID 5470055
N-hydroxy-4-[(E)-[2-(4-methoxyphenyl)-4-oxo-3-[(2-phenylacetyl)amino]-1,3-thiazolidin-5-ylidene]methyl]benzeneamine oxide
CID 20832160
N-[3-[(5Z)-5-benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 6520078
2-hydroxy-N-[(E)-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzamide
CID 6301550
2-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
CID 122713849
N-[4-methoxy-3-[(5E)-4-oxo-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 5470247
methyl 2-[4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 6188846
N'-[4-[5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]butanoyl]-2-hydroxybenzohydrazide
CID 3368261

Frequently Asked Questions

What is the IUPAC name of N-[(5E)-5-benzylidene-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide?
The IUPAC name of N-[(5E)-5-benzylidene-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide (CID 46910447) is N-[(5E)-5-benzylidene-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide.
What is the SMILES notation for N-[(5E)-5-benzylidene-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide?
The canonical SMILES for N-[(5E)-5-benzylidene-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide is COc1cc(C2S/C(=C/c3ccccc3)C(=O)N2NC(=O)c2ccccc2O)ccc1O.
What is the InChIKey of N-[(5E)-5-benzylidene-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide?
The InChIKey is HYHYKPMYDRRDGU-FYJGNVAPSA-N. The full InChI is InChI=1S/C24H20N2O5S/c1-31-20-14-16(11-12-19(20)28)24-26(25-22(29)17-9-5-6-10-18(17)27)23(30)21(32-24)13-15-7-3-2-4-8-15/h2-14,24,27-28H,1H3,(H,25,29)/b21-13+.
What are the key properties of N-[(5E)-5-benzylidene-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide?
N-[(5E)-5-benzylidene-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide has a molecular weight of 448.50 g/mol, XLogP of 4.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5E)-5-benzylidene-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide is sourced from PubChem (CID 46910447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).