3-(2-benzoyl-4-chlorophenyl)-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one

C24H19ClN2O3S — CID 3066755

IUPAC3-(2-benzoyl-4-chlorophenyl)-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCCOc1ccc(/N=C2\SCC(=O)N2c2ccc(Cl)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H19ClN2O3S/c1-2-30-19-11-9-18(10-12-19)26-24-27(22(28)15-31-24)21-13-8-17(25)14-20(21)23(29)16-6-4-3-5-7-16/h3-14H,2,15H2,1H3/b26-24-
InChIKeyCIKIKZJFOBJFEP-LCUIJRPUSA-N
MW450.95 g/mol
LogP5.74
Rot. Bonds6

About 3-(2-benzoyl-4-chlorophenyl)-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one

3-(2-benzoyl-4-chlorophenyl)-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 3066755) has the molecular formula C24H19ClN2O3S and a molecular weight of 450.95 g/mol. Its IUPAC name is 3-(2-benzoyl-4-chlorophenyl)-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-benzoyl-4-chlorophenyl)-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
PubChem CID3066755
Molecular FormulaC24H19ClN2O3S
Molecular Weight450.95 g/mol
Exact Mass450.08
IUPAC Name3-(2-benzoyl-4-chlorophenyl)-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCCOc1ccc(/N=C2\SCC(=O)N2c2ccc(Cl)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H19ClN2O3S/c1-2-30-19-11-9-18(10-12-19)26-24-27(22(28)15-31-24)21-13-8-17(25)14-20(21)23(29)16-6-4-3-5-7-16/h3-14H,2,15H2,1H3/b26-24-
InChIKeyCIKIKZJFOBJFEP-LCUIJRPUSA-N
XLogP5.74
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.95
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-benzoyl-4-chlorophenyl)-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-benzoyl-4-chlorophenyl)-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one (CID 3066755) is 3-(2-benzoyl-4-chlorophenyl)-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-benzoyl-4-chlorophenyl)-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-benzoyl-4-chlorophenyl)-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one is CCOc1ccc(/N=C2\SCC(=O)N2c2ccc(Cl)cc2C(=O)c2ccccc2)cc1.
What is the InChIKey of 3-(2-benzoyl-4-chlorophenyl)-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is CIKIKZJFOBJFEP-LCUIJRPUSA-N. The full InChI is InChI=1S/C24H19ClN2O3S/c1-2-30-19-11-9-18(10-12-19)26-24-27(22(28)15-31-24)21-13-8-17(25)14-20(21)23(29)16-6-4-3-5-7-16/h3-14H,2,15H2,1H3/b26-24-.
What are the key properties of 3-(2-benzoyl-4-chlorophenyl)-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one?
3-(2-benzoyl-4-chlorophenyl)-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 450.95 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzoyl-4-chlorophenyl)-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 3066755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).