2-(3,4-dichlorophenyl)-3-(2-phenyl-1H-indol-3-yl)-1,3-thiazolidin-4-one

C23H16Cl2N2OS — CID 10003292

IUPAC2-(3,4-dichlorophenyl)-3-(2-phenyl-1H-indol-3-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Cl)c(Cl)c2)N1c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C23H16Cl2N2OS/c24-17-11-10-15(12-18(17)25)23-27(20(28)13-29-23)22-16-8-4-5-9-19(16)26-21(22)14-6-2-1-3-7-14/h1-12,23,26H,13H2
InChIKeyDOHPRXRERPIXMW-UHFFFAOYSA-N
MW439.37 g/mol
LogP6.92
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-3-(2-phenyl-1H-indol-3-yl)-1,3-thiazolidin-4-one

2-(3,4-dichlorophenyl)-3-(2-phenyl-1H-indol-3-yl)-1,3-thiazolidin-4-one (PubChem CID 10003292) has the molecular formula C23H16Cl2N2OS and a molecular weight of 439.37 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-3-(2-phenyl-1H-indol-3-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-3-(2-phenyl-1H-indol-3-yl)-1,3-thiazolidin-4-one
PubChem CID10003292
Molecular FormulaC23H16Cl2N2OS
Molecular Weight439.37 g/mol
Exact Mass438.04
IUPAC Name2-(3,4-dichlorophenyl)-3-(2-phenyl-1H-indol-3-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Cl)c(Cl)c2)N1c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C23H16Cl2N2OS/c24-17-11-10-15(12-18(17)25)23-27(20(28)13-29-23)22-16-8-4-5-9-19(16)26-21(22)14-6-2-1-3-7-14/h1-12,23,26H,13H2
InChIKeyDOHPRXRERPIXMW-UHFFFAOYSA-N
XLogP6.92
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.37
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-3-(2-phenyl-1H-indol-3-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3,4-dichlorophenyl)-3-(2-phenyl-1H-indol-3-yl)-1,3-thiazolidin-4-one (CID 10003292) is 2-(3,4-dichlorophenyl)-3-(2-phenyl-1H-indol-3-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-3-(2-phenyl-1H-indol-3-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3,4-dichlorophenyl)-3-(2-phenyl-1H-indol-3-yl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(Cl)c(Cl)c2)N1c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 2-(3,4-dichlorophenyl)-3-(2-phenyl-1H-indol-3-yl)-1,3-thiazolidin-4-one?
The InChIKey is DOHPRXRERPIXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N2OS/c24-17-11-10-15(12-18(17)25)23-27(20(28)13-29-23)22-16-8-4-5-9-19(16)26-21(22)14-6-2-1-3-7-14/h1-12,23,26H,13H2.
What are the key properties of 2-(3,4-dichlorophenyl)-3-(2-phenyl-1H-indol-3-yl)-1,3-thiazolidin-4-one?
2-(3,4-dichlorophenyl)-3-(2-phenyl-1H-indol-3-yl)-1,3-thiazolidin-4-one has a molecular weight of 439.37 g/mol, XLogP of 6.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-3-(2-phenyl-1H-indol-3-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 10003292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).