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

C16H14FNO2S — CID 5080198

IUPAC3-(4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2c2ccc(F)cc2)cc1
InChIInChI=1S/C16H14FNO2S/c1-20-14-8-2-11(3-9-14)16-18(15(19)10-21-16)13-6-4-12(17)5-7-13/h2-9,16H,10H2,1H3
InChIKeyDRRUCDHMJYXWIK-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.61
Rot. Bonds3

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

3-(4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 5080198) has the molecular formula C16H14FNO2S and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID5080198
Molecular FormulaC16H14FNO2S
Molecular Weight303.36 g/mol
Exact Mass303.07
IUPAC Name3-(4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2c2ccc(F)cc2)cc1
InChIInChI=1S/C16H14FNO2S/c1-20-14-8-2-11(3-9-14)16-18(15(19)10-21-16)13-6-4-12(17)5-7-13/h2-9,16H,10H2,1H3
InChIKeyDRRUCDHMJYXWIK-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 3-(4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one (CID 5080198) is 3-(4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one is COc1ccc(C2SCC(=O)N2c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is DRRUCDHMJYXWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2S/c1-20-14-8-2-11(3-9-14)16-18(15(19)10-21-16)13-6-4-12(17)5-7-13/h2-9,16H,10H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
3-(4-fluorophenyl)-2-(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 3-(4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 5080198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).