4-[(Z)-[3-(2,3-dimethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde

C19H15NO3S — CID 6532078

IUPAC4-[(Z)-[3-(2,3-dimethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde
SMILESCc1cccc(N2C(=O)S/C(=C\c3ccc(C=O)cc3)C2=O)c1C
InChIInChI=1S/C19H15NO3S/c1-12-4-3-5-16(13(12)2)20-18(22)17(24-19(20)23)10-14-6-8-15(11-21)9-7-14/h3-11H,1-2H3/b17-10-
InChIKeyMISNQTYOKWZMBY-YVLHZVERSA-N
MW337.40 g/mol
LogP4.36
Rot. Bonds3

About 4-[(Z)-[3-(2,3-dimethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde

4-[(Z)-[3-(2,3-dimethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde (PubChem CID 6532078) has the molecular formula C19H15NO3S and a molecular weight of 337.40 g/mol. Its IUPAC name is 4-[(Z)-[3-(2,3-dimethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde.

Molecular Properties

Compound Name4-[(Z)-[3-(2,3-dimethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde
PubChem CID6532078
Molecular FormulaC19H15NO3S
Molecular Weight337.40 g/mol
Exact Mass337.08
IUPAC Name4-[(Z)-[3-(2,3-dimethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde
SMILESCc1cccc(N2C(=O)S/C(=C\c3ccc(C=O)cc3)C2=O)c1C
InChIInChI=1S/C19H15NO3S/c1-12-4-3-5-16(13(12)2)20-18(22)17(24-19(20)23)10-14-6-8-15(11-21)9-7-14/h3-11H,1-2H3/b17-10-
InChIKeyMISNQTYOKWZMBY-YVLHZVERSA-N
XLogP4.36
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-3-(2,3-dimethylphenyl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18839823
(5E)-3-(2,3-dimethylphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 18839786
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-(2,3-dimethylphenyl)-1,3-thiazolidine-2,4-dione
CID 18839798
(5Z)-3-(2,3-dimethylphenyl)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18839803
(5Z)-3-(2,3-dimethylphenyl)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2249646
4-[[3-(3-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde
CID 4763223
2-[4-[(E)-[3-(2,3-dimethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxyphenoxy]acetic acid
CID 27421446
2-[4-[(E)-[3-(2,3-dimethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]propanoic acid
CID 43863166
4-[[3-(3-hydroxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde
CID 4763216
(5Z)-3-(2-methylphenyl)-5-[(2-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18836638
(5Z)-5-benzylidene-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 18840149
(5Z)-5-benzylidene-3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126059113

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[3-(2,3-dimethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde?
The IUPAC name of 4-[(Z)-[3-(2,3-dimethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde (CID 6532078) is 4-[(Z)-[3-(2,3-dimethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde.
What is the SMILES notation for 4-[(Z)-[3-(2,3-dimethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde?
The canonical SMILES for 4-[(Z)-[3-(2,3-dimethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde is Cc1cccc(N2C(=O)S/C(=C\c3ccc(C=O)cc3)C2=O)c1C.
What is the InChIKey of 4-[(Z)-[3-(2,3-dimethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde?
The InChIKey is MISNQTYOKWZMBY-YVLHZVERSA-N. The full InChI is InChI=1S/C19H15NO3S/c1-12-4-3-5-16(13(12)2)20-18(22)17(24-19(20)23)10-14-6-8-15(11-21)9-7-14/h3-11H,1-2H3/b17-10-.
What are the key properties of 4-[(Z)-[3-(2,3-dimethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde?
4-[(Z)-[3-(2,3-dimethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde has a molecular weight of 337.40 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[3-(2,3-dimethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde is sourced from PubChem (CID 6532078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).