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

C20H19NO2S — CID 7707024

IUPAC(2Z)-3-[(2-methylphenyl)methyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCc1ccccc1CN1C(=O)CS/C1=C\C(=O)c1ccccc1C
InChIInChI=1S/C20H19NO2S/c1-14-7-3-5-9-16(14)12-21-19(23)13-24-20(21)11-18(22)17-10-6-4-8-15(17)2/h3-11H,12-13H2,1-2H3/b20-11-
InChIKeyCNISRUISWLUUHU-JAIQZWGSSA-N
MW337.44 g/mol
LogP4.10
Rot. Bonds4

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

(2Z)-3-[(2-methylphenyl)methyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (PubChem CID 7707024) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is (2Z)-3-[(2-methylphenyl)methyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-3-[(2-methylphenyl)methyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
PubChem CID7707024
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC Name(2Z)-3-[(2-methylphenyl)methyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCc1ccccc1CN1C(=O)CS/C1=C\C(=O)c1ccccc1C
InChIInChI=1S/C20H19NO2S/c1-14-7-3-5-9-16(14)12-21-19(23)13-24-20(21)11-18(22)17-10-6-4-8-15(17)2/h3-11H,12-13H2,1-2H3/b20-11-
InChIKeyCNISRUISWLUUHU-JAIQZWGSSA-N
XLogP4.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-[2-(2-methylphenyl)-2-oxoethylidene]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one
CID 7707011
(2Z)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 7706975
(2Z)-3-[2-(4-methoxyphenoxy)ethyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 7707010
N-[(1R,2R)-2-methylcyclohexyl]-2-[(2Z)-2-[2-(2-methylphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 7707000
(2Z)-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 6887833
ethyl (2Z)-2-[3-[2-(2-fluorophenyl)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 6212805
1,2-bis(2-methylphenyl)ethanone
CID 11345119
(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-3-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 26029099
4-[[(2Z)-2-[2-(3,5-dimethylphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]methyl]benzonitrile
CID 6532797
N-cyclopentyl-4-[(2-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 5064081
ethyl (2E)-2-[4-oxo-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazolidin-2-ylidene]acetate
CID 47004370
methyl (2E)-2-[4-oxo-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,3-thiazolidin-2-ylidene]acetate
CID 47077577

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-[(2-methylphenyl)methyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-3-[(2-methylphenyl)methyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (CID 7707024) is (2Z)-3-[(2-methylphenyl)methyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-3-[(2-methylphenyl)methyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-3-[(2-methylphenyl)methyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is Cc1ccccc1CN1C(=O)CS/C1=C\C(=O)c1ccccc1C.
What is the InChIKey of (2Z)-3-[(2-methylphenyl)methyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The InChIKey is CNISRUISWLUUHU-JAIQZWGSSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-14-7-3-5-9-16(14)12-21-19(23)13-24-20(21)11-18(22)17-10-6-4-8-15(17)2/h3-11H,12-13H2,1-2H3/b20-11-.
What are the key properties of (2Z)-3-[(2-methylphenyl)methyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
(2Z)-3-[(2-methylphenyl)methyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one has a molecular weight of 337.44 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-[(2-methylphenyl)methyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 7707024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).