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

C17H16FNOS2 — CID 3669039

IUPAC3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
SMILESCSc1ccc(C2SCC(=O)N2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FNOS2/c1-21-15-8-4-13(5-9-15)17-19(16(20)11-22-17)10-12-2-6-14(18)7-3-12/h2-9,17H,10-11H2,1H3
InChIKeyBDEAHNRZIHDIJL-UHFFFAOYSA-N
MW333.45 g/mol
LogP4.32
Rot. Bonds4

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

3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one (PubChem CID 3669039) has the molecular formula C17H16FNOS2 and a molecular weight of 333.45 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
PubChem CID3669039
Molecular FormulaC17H16FNOS2
Molecular Weight333.45 g/mol
Exact Mass333.07
IUPAC Name3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
SMILESCSc1ccc(C2SCC(=O)N2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FNOS2/c1-21-15-8-4-13(5-9-15)17-19(16(20)11-22-17)10-12-2-6-14(18)7-3-12/h2-9,17H,10-11H2,1H3
InChIKeyBDEAHNRZIHDIJL-UHFFFAOYSA-N
XLogP4.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one (CID 3669039) is 3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one is CSc1ccc(C2SCC(=O)N2Cc2ccc(F)cc2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is BDEAHNRZIHDIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNOS2/c1-21-15-8-4-13(5-9-15)17-19(16(20)11-22-17)10-12-2-6-14(18)7-3-12/h2-9,17H,10-11H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 333.45 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3669039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).