2-(2-chlorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one

C16H14ClNO2S — CID 3111951

IUPAC2-(2-chlorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CSC2c2ccccc2Cl)cc1
InChIInChI=1S/C16H14ClNO2S/c1-20-12-8-6-11(7-9-12)18-15(19)10-21-16(18)13-4-2-3-5-14(13)17/h2-9,16H,10H2,1H3
InChIKeyIYINNXMMWPRFOQ-UHFFFAOYSA-N
MW319.81 g/mol
LogP4.13
Rot. Bonds3

About 2-(2-chlorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one

2-(2-chlorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 3111951) has the molecular formula C16H14ClNO2S and a molecular weight of 319.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID3111951
Molecular FormulaC16H14ClNO2S
Molecular Weight319.81 g/mol
Exact Mass319.04
IUPAC Name2-(2-chlorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CSC2c2ccccc2Cl)cc1
InChIInChI=1S/C16H14ClNO2S/c1-20-12-8-6-11(7-9-12)18-15(19)10-21-16(18)13-4-2-3-5-14(13)17/h2-9,16H,10H2,1H3
InChIKeyIYINNXMMWPRFOQ-UHFFFAOYSA-N
XLogP4.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chlorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one (CID 3111951) is 2-(2-chlorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one is COc1ccc(N2C(=O)CSC2c2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is IYINNXMMWPRFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2S/c1-20-12-8-6-11(7-9-12)18-15(19)10-21-16(18)13-4-2-3-5-14(13)17/h2-9,16H,10H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
2-(2-chlorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 319.81 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3111951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).