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

C16H14FNOS2 — CID 4245121

IUPAC3-(3-fluorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
SMILESCSc1ccc(C2SCC(=O)N2c2cccc(F)c2)cc1
InChIInChI=1S/C16H14FNOS2/c1-20-14-7-5-11(6-8-14)16-18(15(19)10-21-16)13-4-2-3-12(17)9-13/h2-9,16H,10H2,1H3
InChIKeyIBPGQRQERVNREJ-UHFFFAOYSA-N
MW319.43 g/mol
LogP4.33
Rot. Bonds3

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

3-(3-fluorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one (PubChem CID 4245121) has the molecular formula C16H14FNOS2 and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
PubChem CID4245121
Molecular FormulaC16H14FNOS2
Molecular Weight319.43 g/mol
Exact Mass319.05
IUPAC Name3-(3-fluorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
SMILESCSc1ccc(C2SCC(=O)N2c2cccc(F)c2)cc1
InChIInChI=1S/C16H14FNOS2/c1-20-14-7-5-11(6-8-14)16-18(15(19)10-21-16)13-4-2-3-12(17)9-13/h2-9,16H,10H2,1H3
InChIKeyIBPGQRQERVNREJ-UHFFFAOYSA-N
XLogP4.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-fluorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one (CID 4245121) is 3-(3-fluorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-fluorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-fluorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one is CSc1ccc(C2SCC(=O)N2c2cccc(F)c2)cc1.
What is the InChIKey of 3-(3-fluorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is IBPGQRQERVNREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNOS2/c1-20-14-7-5-11(6-8-14)16-18(15(19)10-21-16)13-4-2-3-12(17)9-13/h2-9,16H,10H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
3-(3-fluorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 319.43 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4245121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).