3-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one

C16H13ClFNO2S — CID 4519423

IUPAC3-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CSC2c2cccc(F)c2)cc1Cl
InChIInChI=1S/C16H13ClFNO2S/c1-21-14-6-5-12(8-13(14)17)19-15(20)9-22-16(19)10-3-2-4-11(18)7-10/h2-8,16H,9H2,1H3
InChIKeyYACLXGXSNYWCTQ-UHFFFAOYSA-N
MW337.80 g/mol
LogP4.27
Rot. Bonds3

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

3-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one (PubChem CID 4519423) has the molecular formula C16H13ClFNO2S and a molecular weight of 337.80 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one
PubChem CID4519423
Molecular FormulaC16H13ClFNO2S
Molecular Weight337.80 g/mol
Exact Mass337.03
IUPAC Name3-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CSC2c2cccc(F)c2)cc1Cl
InChIInChI=1S/C16H13ClFNO2S/c1-21-14-6-5-12(8-13(14)17)19-15(20)9-22-16(19)10-3-2-4-11(18)7-10/h2-8,16H,9H2,1H3
InChIKeyYACLXGXSNYWCTQ-UHFFFAOYSA-N
XLogP4.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.80
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one (CID 4519423) is 3-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one is COc1ccc(N2C(=O)CSC2c2cccc(F)c2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is YACLXGXSNYWCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO2S/c1-21-14-6-5-12(8-13(14)17)19-15(20)9-22-16(19)10-3-2-4-11(18)7-10/h2-8,16H,9H2,1H3.
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one?
3-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 337.80 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4519423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).