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

C23H18N2O3S — CID 46910363

IUPACN-[(5E)-5-benzylidene-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-2-hydroxybenzamide
SMILESO=C(NN1C(=O)/C(=C\c2ccccc2)SC1c1ccccc1)c1ccccc1O
InChIInChI=1S/C23H18N2O3S/c26-19-14-8-7-13-18(19)21(27)24-25-22(28)20(15-16-9-3-1-4-10-16)29-23(25)17-11-5-2-6-12-17/h1-15,23,26H,(H,24,27)/b20-15+
InChIKeyZVNPPFGROSCTTJ-HMMYKYKNSA-N
MW402.48 g/mol
LogP4.35
Rot. Bonds4

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

N-[(5E)-5-benzylidene-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-2-hydroxybenzamide (PubChem CID 46910363) has the molecular formula C23H18N2O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-[(5E)-5-benzylidene-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(5E)-5-benzylidene-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-2-hydroxybenzamide
PubChem CID46910363
Molecular FormulaC23H18N2O3S
Molecular Weight402.48 g/mol
Exact Mass402.10
IUPAC NameN-[(5E)-5-benzylidene-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-2-hydroxybenzamide
SMILESO=C(NN1C(=O)/C(=C\c2ccccc2)SC1c1ccccc1)c1ccccc1O
InChIInChI=1S/C23H18N2O3S/c26-19-14-8-7-13-18(19)21(27)24-25-22(28)20(15-16-9-3-1-4-10-16)29-23(25)17-11-5-2-6-12-17/h1-15,23,26H,(H,24,27)/b20-15+
InChIKeyZVNPPFGROSCTTJ-HMMYKYKNSA-N
XLogP4.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5E)-5-benzylidene-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide
CID 46910447
N-[(5E)-2-(1,3-benzodioxol-5-yl)-5-benzylidene-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide
CID 46910446
N-[(5Z)-2-(3-bromophenyl)-5-[(3-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-4-phenylbenzamide
CID 162660640
N-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide
CID 5467494
N-[(5Z)-5-[(4-chlorophenyl)methylidene]-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-[2-(4-methylphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 71598242
N-[5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-hydroxybenzamide
CID 1382732
N-hydroxy-4-[(E)-[2-(4-methoxyphenyl)-4-oxo-3-[(2-phenylacetyl)amino]-1,3-thiazolidin-5-ylidene]methyl]benzeneamine oxide
CID 20832160
2-(2-chlorophenothiazin-10-yl)-N-[(5Z)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 11802058
N-[(5Z)-2-(3-chlorophenyl)-5-[(3-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 11826656
N-(1,3-dihydroxy-1,3-dihydroisoindol-2-yl)-2-hydroxybenzamide
CID 66730211
N-(5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-bromobenzamide
CID 1365745
N-[(5E)-2-(4-fluorophenyl)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-4-[2-(4-methylphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 177456638

Frequently Asked Questions

What is the IUPAC name of N-[(5E)-5-benzylidene-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-2-hydroxybenzamide?
The IUPAC name of N-[(5E)-5-benzylidene-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-2-hydroxybenzamide (CID 46910363) is N-[(5E)-5-benzylidene-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-2-hydroxybenzamide.
What is the SMILES notation for N-[(5E)-5-benzylidene-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-2-hydroxybenzamide?
The canonical SMILES for N-[(5E)-5-benzylidene-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-2-hydroxybenzamide is O=C(NN1C(=O)/C(=C\c2ccccc2)SC1c1ccccc1)c1ccccc1O.
What is the InChIKey of N-[(5E)-5-benzylidene-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-2-hydroxybenzamide?
The InChIKey is ZVNPPFGROSCTTJ-HMMYKYKNSA-N. The full InChI is InChI=1S/C23H18N2O3S/c26-19-14-8-7-13-18(19)21(27)24-25-22(28)20(15-16-9-3-1-4-10-16)29-23(25)17-11-5-2-6-12-17/h1-15,23,26H,(H,24,27)/b20-15+.
What are the key properties of N-[(5E)-5-benzylidene-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-2-hydroxybenzamide?
N-[(5E)-5-benzylidene-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-2-hydroxybenzamide has a molecular weight of 402.48 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5E)-5-benzylidene-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-2-hydroxybenzamide is sourced from PubChem (CID 46910363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).