5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one

C24H17Cl3N2O2S — CID 16633868

IUPAC5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
SMILESCc1cc(C(=O)CC2S/C(=N\c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)ccc1Cl
InChIInChI=1S/C24H17Cl3N2O2S/c1-14-12-15(2-11-20(14)27)21(30)13-22-23(31)29(19-9-5-17(26)6-10-19)24(32-22)28-18-7-3-16(25)4-8-18/h2-12,22H,13H2,1H3/b28-24-
InChIKeyDTJATLSAQPZFIY-COOPMVRXSA-N
MW503.84 g/mol
LogP7.36
Rot. Bonds5

About 5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one

5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 16633868) has the molecular formula C24H17Cl3N2O2S and a molecular weight of 503.84 g/mol. Its IUPAC name is 5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
PubChem CID16633868
Molecular FormulaC24H17Cl3N2O2S
Molecular Weight503.84 g/mol
Exact Mass502.01
IUPAC Name5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
SMILESCc1cc(C(=O)CC2S/C(=N\c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)ccc1Cl
InChIInChI=1S/C24H17Cl3N2O2S/c1-14-12-15(2-11-20(14)27)21(30)13-22-23(31)29(19-9-5-17(26)6-10-19)24(32-22)28-18-7-3-16(25)4-8-18/h2-12,22H,13H2,1H3/b28-24-
InChIKeyDTJATLSAQPZFIY-COOPMVRXSA-N
XLogP7.36
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.84
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one (CID 16633868) is 5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one is Cc1cc(C(=O)CC2S/C(=N\c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)ccc1Cl.
What is the InChIKey of 5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is DTJATLSAQPZFIY-COOPMVRXSA-N. The full InChI is InChI=1S/C24H17Cl3N2O2S/c1-14-12-15(2-11-20(14)27)21(30)13-22-23(31)29(19-9-5-17(26)6-10-19)24(32-22)28-18-7-3-16(25)4-8-18/h2-12,22H,13H2,1H3/b28-24-.
What are the key properties of 5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one?
5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 503.84 g/mol, XLogP of 7.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 16633868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).