(2Z,5Z)-5-benzylidene-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one

C20H17NO2S — CID 17420075

IUPAC(2Z,5Z)-5-benzylidene-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCc1ccccc1C(=O)/C=c1\s/c(=C\c2ccccc2)c(=O)n1C
InChIInChI=1S/C20H17NO2S/c1-14-8-6-7-11-16(14)17(22)13-19-21(2)20(23)18(24-19)12-15-9-4-3-5-10-15/h3-13H,1-2H3/b18-12-,19-13-
InChIKeyGZFFALCLLLZQHK-BKHHGCLFSA-N
MW335.43 g/mol
LogP2.25
Rot. Bonds3

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

(2Z,5Z)-5-benzylidene-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (PubChem CID 17420075) has the molecular formula C20H17NO2S and a molecular weight of 335.43 g/mol. Its IUPAC name is (2Z,5Z)-5-benzylidene-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-5-benzylidene-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
PubChem CID17420075
Molecular FormulaC20H17NO2S
Molecular Weight335.43 g/mol
Exact Mass335.10
IUPAC Name(2Z,5Z)-5-benzylidene-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCc1ccccc1C(=O)/C=c1\s/c(=C\c2ccccc2)c(=O)n1C
InChIInChI=1S/C20H17NO2S/c1-14-8-6-7-11-16(14)17(22)13-19-21(2)20(23)18(24-19)12-15-9-4-3-5-10-15/h3-13H,1-2H3/b18-12-,19-13-
InChIKeyGZFFALCLLLZQHK-BKHHGCLFSA-N
XLogP2.25
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2Z,5Z)-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8685322
(2Z,5Z)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 8831734
(2Z,5Z)-5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 25334846
(2Z,5Z)-5-[(4-methoxy-3-propoxyphenyl)methylidene]-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 8831758
2-[(2Z,5E)-5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylacetamide
CID 17471818
4-[(E)-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 17470453
(2Z,5E)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(4-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 8831553
(2Z,5E)-5-[(2-chlorophenyl)methylidene]-2-[2-(4-chlorophenyl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one
CID 8831545
5-[(4-chlorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 4854641
(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-3-methyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8814305
(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(4-ethylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 8814337
(2Z,5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one
CID 47022586

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-5-benzylidene-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-5-benzylidene-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (CID 17420075) is (2Z,5Z)-5-benzylidene-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-5-benzylidene-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-5-benzylidene-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is Cc1ccccc1C(=O)/C=c1\s/c(=C\c2ccccc2)c(=O)n1C.
What is the InChIKey of (2Z,5Z)-5-benzylidene-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The InChIKey is GZFFALCLLLZQHK-BKHHGCLFSA-N. The full InChI is InChI=1S/C20H17NO2S/c1-14-8-6-7-11-16(14)17(22)13-19-21(2)20(23)18(24-19)12-15-9-4-3-5-10-15/h3-13H,1-2H3/b18-12-,19-13-.
What are the key properties of (2Z,5Z)-5-benzylidene-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
(2Z,5Z)-5-benzylidene-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one has a molecular weight of 335.43 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-5-benzylidene-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 17420075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).