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

C19H14ClNO2S — CID 4854641

IUPAC5-[(4-chlorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCc1ccccc1C(=O)C=c1[nH]c(=O)c(=Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C19H14ClNO2S/c1-12-4-2-3-5-15(12)16(22)11-18-21-19(23)17(24-18)10-13-6-8-14(20)9-7-13/h2-11H,1H3,(H,21,23)
InChIKeyVWFQWQFFEBEONB-UHFFFAOYSA-N
MW355.85 g/mol
LogP2.89
Rot. Bonds3

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

5-[(4-chlorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (PubChem CID 4854641) has the molecular formula C19H14ClNO2S and a molecular weight of 355.85 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
PubChem CID4854641
Molecular FormulaC19H14ClNO2S
Molecular Weight355.85 g/mol
Exact Mass355.04
IUPAC Name5-[(4-chlorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCc1ccccc1C(=O)C=c1[nH]c(=O)c(=Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C19H14ClNO2S/c1-12-4-2-3-5-15(12)16(22)11-18-21-19(23)17(24-18)10-13-6-8-14(20)9-7-13/h2-11H,1H3,(H,21,23)
InChIKeyVWFQWQFFEBEONB-UHFFFAOYSA-N
XLogP2.89
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2Z,5Z)-5-[(4-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 8832075
(2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8831834
(2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 86775979
5-benzylidene-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 2818920
(2Z,5E)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 86775981
(2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8832477
methyl 4-[(Z)-[(2Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 8832483
5-[[4-(dimethylamino)phenyl]methylidene]-2-[2-(4-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 3633056
2-[4-[(E)-[(2E)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetonitrile
CID 9037138
(2Z,5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 8832092
4-[(Z)-[(2Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 167917751
3-(4-chlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 582919

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(4-chlorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (CID 4854641) is 5-[(4-chlorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(4-chlorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(4-chlorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is Cc1ccccc1C(=O)C=c1[nH]c(=O)c(=Cc2ccc(Cl)cc2)s1.
What is the InChIKey of 5-[(4-chlorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The InChIKey is VWFQWQFFEBEONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO2S/c1-12-4-2-3-5-15(12)16(22)11-18-21-19(23)17(24-18)10-13-6-8-14(20)9-7-13/h2-11H,1H3,(H,21,23).
What are the key properties of 5-[(4-chlorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
5-[(4-chlorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one has a molecular weight of 355.85 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 4854641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).