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

C17H15F2NO2S — CID 3370397

IUPAC2-(3,4-difluorophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCCOc1ccc(N2C(=O)CSC2c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H15F2NO2S/c1-2-22-13-6-4-12(5-7-13)20-16(21)10-23-17(20)11-3-8-14(18)15(19)9-11/h3-9,17H,2,10H2,1H3
InChIKeyDKENRGMTOVAWDK-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.14
Rot. Bonds4

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

2-(3,4-difluorophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 3370397) has the molecular formula C17H15F2NO2S and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID3370397
Molecular FormulaC17H15F2NO2S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Name2-(3,4-difluorophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCCOc1ccc(N2C(=O)CSC2c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H15F2NO2S/c1-2-22-13-6-4-12(5-7-13)20-16(21)10-23-17(20)11-3-8-14(18)15(19)9-11/h3-9,17H,2,10H2,1H3
InChIKeyDKENRGMTOVAWDK-UHFFFAOYSA-N
XLogP4.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.14
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-ethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3,4-difluorophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one (CID 3370397) is 2-(3,4-difluorophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3,4-difluorophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3,4-difluorophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one is CCOc1ccc(N2C(=O)CSC2c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 2-(3,4-difluorophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is DKENRGMTOVAWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO2S/c1-2-22-13-6-4-12(5-7-13)20-16(21)10-23-17(20)11-3-8-14(18)15(19)9-11/h3-9,17H,2,10H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one?
2-(3,4-difluorophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 335.38 g/mol, XLogP of 4.14, 4 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-ethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3370397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).