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

C16H13F2NO2S — CID 3370398

IUPAC2-(3,4-difluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CSC2c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H13F2NO2S/c1-21-12-5-3-11(4-6-12)19-15(20)9-22-16(19)10-2-7-13(17)14(18)8-10/h2-8,16H,9H2,1H3
InChIKeyIMNPSKUREUEVML-UHFFFAOYSA-N
MW321.35 g/mol
LogP3.75
Rot. Bonds3

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

2-(3,4-difluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 3370398) has the molecular formula C16H13F2NO2S and a molecular weight of 321.35 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID3370398
Molecular FormulaC16H13F2NO2S
Molecular Weight321.35 g/mol
Exact Mass321.06
IUPAC Name2-(3,4-difluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CSC2c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H13F2NO2S/c1-21-12-5-3-11(4-6-12)19-15(20)9-22-16(19)10-2-7-13(17)14(18)8-10/h2-8,16H,9H2,1H3
InChIKeyIMNPSKUREUEVML-UHFFFAOYSA-N
XLogP3.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3,4-difluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one (CID 3370398) is 2-(3,4-difluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3,4-difluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3,4-difluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one is COc1ccc(N2C(=O)CSC2c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 2-(3,4-difluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is IMNPSKUREUEVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO2S/c1-21-12-5-3-11(4-6-12)19-15(20)9-22-16(19)10-2-7-13(17)14(18)8-10/h2-8,16H,9H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
2-(3,4-difluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 321.35 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3370398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).