2-(3,4-dichlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one

C16H13Cl2NOS — CID 5069018

IUPAC2-(3,4-dichlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(N2C(=O)CSC2c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H13Cl2NOS/c1-10-2-5-12(6-3-10)19-15(20)9-21-16(19)11-4-7-13(17)14(18)8-11/h2-8,16H,9H2,1H3
InChIKeyMBNLXYAWOWEXNU-UHFFFAOYSA-N
MW338.26 g/mol
LogP5.08
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one

2-(3,4-dichlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 5069018) has the molecular formula C16H13Cl2NOS and a molecular weight of 338.26 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID5069018
Molecular FormulaC16H13Cl2NOS
Molecular Weight338.26 g/mol
Exact Mass337.01
IUPAC Name2-(3,4-dichlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(N2C(=O)CSC2c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H13Cl2NOS/c1-10-2-5-12(6-3-10)19-15(20)9-21-16(19)11-4-7-13(17)14(18)8-11/h2-8,16H,9H2,1H3
InChIKeyMBNLXYAWOWEXNU-UHFFFAOYSA-N
XLogP5.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.26
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3,4-dichlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one (CID 5069018) is 2-(3,4-dichlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3,4-dichlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one is Cc1ccc(N2C(=O)CSC2c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is MBNLXYAWOWEXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NOS/c1-10-2-5-12(6-3-10)19-15(20)9-21-16(19)11-4-7-13(17)14(18)8-11/h2-8,16H,9H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
2-(3,4-dichlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 338.26 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 5069018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).