2-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one

C16H11F2NO3S — CID 4106887

IUPAC2-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc3c(c2)OCO3)N1c1ccc(F)cc1F
InChIInChI=1S/C16H11F2NO3S/c17-10-2-3-12(11(18)6-10)19-15(20)7-23-16(19)9-1-4-13-14(5-9)22-8-21-13/h1-6,16H,7-8H2
InChIKeyVTQBAQFIVFDIMP-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.47
Rot. Bonds2

About 2-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one

2-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one (PubChem CID 4106887) has the molecular formula C16H11F2NO3S and a molecular weight of 335.33 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one
PubChem CID4106887
Molecular FormulaC16H11F2NO3S
Molecular Weight335.33 g/mol
Exact Mass335.04
IUPAC Name2-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc3c(c2)OCO3)N1c1ccc(F)cc1F
InChIInChI=1S/C16H11F2NO3S/c17-10-2-3-12(11(18)6-10)19-15(20)7-23-16(19)9-1-4-13-14(5-9)22-8-21-13/h1-6,16H,7-8H2
InChIKeyVTQBAQFIVFDIMP-UHFFFAOYSA-N
XLogP3.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one (CID 4106887) is 2-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccc3c(c2)OCO3)N1c1ccc(F)cc1F.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is VTQBAQFIVFDIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO3S/c17-10-2-3-12(11(18)6-10)19-15(20)7-23-16(19)9-1-4-13-14(5-9)22-8-21-13/h1-6,16H,7-8H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one?
2-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 335.33 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4106887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).