5-[(3-methylphenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one

C20H17NO2S — CID 4793239

IUPAC5-[(3-methylphenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCc1cccc(C=c2sc(=CC(=O)c3ccccc3C)[nH]c2=O)c1
InChIInChI=1S/C20H17NO2S/c1-13-6-5-8-15(10-13)11-18-20(23)21-19(24-18)12-17(22)16-9-4-3-7-14(16)2/h3-12H,1-2H3,(H,21,23)
InChIKeyYAHUWGPYZFETTD-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.55
Rot. Bonds3

About 5-[(3-methylphenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one

5-[(3-methylphenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (PubChem CID 4793239) has the molecular formula C20H17NO2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 5-[(3-methylphenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(3-methylphenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
PubChem CID4793239
Molecular FormulaC20H17NO2S
Molecular Weight335.43 g/mol
Exact Mass335.10
IUPAC Name5-[(3-methylphenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCc1cccc(C=c2sc(=CC(=O)c3ccccc3C)[nH]c2=O)c1
InChIInChI=1S/C20H17NO2S/c1-13-6-5-8-15(10-13)11-18-20(23)21-19(24-18)12-17(22)16-9-4-3-7-14(16)2/h3-12H,1-2H3,(H,21,23)
InChIKeyYAHUWGPYZFETTD-UHFFFAOYSA-N
XLogP2.55
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylphenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(3-methylphenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (CID 4793239) is 5-[(3-methylphenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(3-methylphenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(3-methylphenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is Cc1cccc(C=c2sc(=CC(=O)c3ccccc3C)[nH]c2=O)c1.
What is the InChIKey of 5-[(3-methylphenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The InChIKey is YAHUWGPYZFETTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2S/c1-13-6-5-8-15(10-13)11-18-20(23)21-19(24-18)12-17(22)16-9-4-3-7-14(16)2/h3-12H,1-2H3,(H,21,23).
What are the key properties of 5-[(3-methylphenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
5-[(3-methylphenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one has a molecular weight of 335.43 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylphenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 4793239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).