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

C16H14FNO2S — CID 4519035

IUPAC2-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CSC2c2ccc(F)cc2)cc1
InChIInChI=1S/C16H14FNO2S/c1-20-14-8-6-13(7-9-14)18-15(19)10-21-16(18)11-2-4-12(17)5-3-11/h2-9,16H,10H2,1H3
InChIKeyJFRGTGQQSOEURZ-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.61
Rot. Bonds3

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

2-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 4519035) has the molecular formula C16H14FNO2S and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID4519035
Molecular FormulaC16H14FNO2S
Molecular Weight303.36 g/mol
Exact Mass303.07
IUPAC Name2-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CSC2c2ccc(F)cc2)cc1
InChIInChI=1S/C16H14FNO2S/c1-20-14-8-6-13(7-9-14)18-15(19)10-21-16(18)11-2-4-12(17)5-3-11/h2-9,16H,10H2,1H3
InChIKeyJFRGTGQQSOEURZ-UHFFFAOYSA-N
XLogP3.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one (CID 4519035) is 2-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one is COc1ccc(N2C(=O)CSC2c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is JFRGTGQQSOEURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2S/c1-20-14-8-6-13(7-9-14)18-15(19)10-21-16(18)11-2-4-12(17)5-3-11/h2-9,16H,10H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
2-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 303.36 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4519035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).