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

C18H17F2NO2S — CID 130428013

IUPAC2-(3-fluoro-4-methoxy-5-methylphenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one
SMILESCOc1c(C)cc(C2SCC(=O)N2c2cc(F)ccc2C)cc1F
InChIInChI=1S/C18H17F2NO2S/c1-10-4-5-13(19)8-15(10)21-16(22)9-24-18(21)12-6-11(2)17(23-3)14(20)7-12/h4-8,18H,9H2,1-3H3
InChIKeyXFJJVLXVFXOIIH-UHFFFAOYSA-N
MW349.40 g/mol
LogP4.37
Rot. Bonds3

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

2-(3-fluoro-4-methoxy-5-methylphenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 130428013) has the molecular formula C18H17F2NO2S and a molecular weight of 349.40 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxy-5-methylphenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxy-5-methylphenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID130428013
Molecular FormulaC18H17F2NO2S
Molecular Weight349.40 g/mol
Exact Mass349.09
IUPAC Name2-(3-fluoro-4-methoxy-5-methylphenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one
SMILESCOc1c(C)cc(C2SCC(=O)N2c2cc(F)ccc2C)cc1F
InChIInChI=1S/C18H17F2NO2S/c1-10-4-5-13(19)8-15(10)21-16(22)9-24-18(21)12-6-11(2)17(23-3)14(20)7-12/h4-8,18H,9H2,1-3H3
InChIKeyXFJJVLXVFXOIIH-UHFFFAOYSA-N
XLogP4.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxy-5-methylphenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-fluoro-4-methoxy-5-methylphenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one (CID 130428013) is 2-(3-fluoro-4-methoxy-5-methylphenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-fluoro-4-methoxy-5-methylphenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-fluoro-4-methoxy-5-methylphenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one is COc1c(C)cc(C2SCC(=O)N2c2cc(F)ccc2C)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxy-5-methylphenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is XFJJVLXVFXOIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO2S/c1-10-4-5-13(19)8-15(10)21-16(22)9-24-18(21)12-6-11(2)17(23-3)14(20)7-12/h4-8,18H,9H2,1-3H3.
What are the key properties of 2-(3-fluoro-4-methoxy-5-methylphenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one?
2-(3-fluoro-4-methoxy-5-methylphenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 349.40 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxy-5-methylphenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 130428013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).