2-(4-chloro-3-fluorophenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one

C16H12ClF2NOS — CID 130385891

IUPAC2-(4-chloro-3-fluorophenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(F)cc1N1C(=O)CSC1c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H12ClF2NOS/c1-9-2-4-11(18)7-14(9)20-15(21)8-22-16(20)10-3-5-12(17)13(19)6-10/h2-7,16H,8H2,1H3
InChIKeyPENNAZDXAAJASB-UHFFFAOYSA-N
MW339.79 g/mol
LogP4.71
Rot. Bonds2

About 2-(4-chloro-3-fluorophenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one

2-(4-chloro-3-fluorophenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 130385891) has the molecular formula C16H12ClF2NOS and a molecular weight of 339.79 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID130385891
Molecular FormulaC16H12ClF2NOS
Molecular Weight339.79 g/mol
Exact Mass339.03
IUPAC Name2-(4-chloro-3-fluorophenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(F)cc1N1C(=O)CSC1c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H12ClF2NOS/c1-9-2-4-11(18)7-14(9)20-15(21)8-22-16(20)10-3-5-12(17)13(19)6-10/h2-7,16H,8H2,1H3
InChIKeyPENNAZDXAAJASB-UHFFFAOYSA-N
XLogP4.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one (CID 130385891) is 2-(4-chloro-3-fluorophenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one is Cc1ccc(F)cc1N1C(=O)CSC1c1ccc(Cl)c(F)c1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is PENNAZDXAAJASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2NOS/c1-9-2-4-11(18)7-14(9)20-15(21)8-22-16(20)10-3-5-12(17)13(19)6-10/h2-7,16H,8H2,1H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one?
2-(4-chloro-3-fluorophenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 339.79 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 130385891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).