2-(2,6-difluorophenyl)-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

C12H8F2N2OS2 — CID 16728000

IUPAC2-(2,6-difluorophenyl)-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(F)cccc2F)N1c1nccs1
InChIInChI=1S/C12H8F2N2OS2/c13-7-2-1-3-8(14)10(7)11-16(9(17)6-19-11)12-15-4-5-18-12/h1-5,11H,6H2
InChIKeySWEIRTAPHPEBRO-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.20
Rot. Bonds2

About 2-(2,6-difluorophenyl)-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

2-(2,6-difluorophenyl)-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (PubChem CID 16728000) has the molecular formula C12H8F2N2OS2 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
PubChem CID16728000
Molecular FormulaC12H8F2N2OS2
Molecular Weight298.34 g/mol
Exact Mass298.00
IUPAC Name2-(2,6-difluorophenyl)-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(F)cccc2F)N1c1nccs1
InChIInChI=1S/C12H8F2N2OS2/c13-7-2-1-3-8(14)10(7)11-16(9(17)6-19-11)12-15-4-5-18-12/h1-5,11H,6H2
InChIKeySWEIRTAPHPEBRO-UHFFFAOYSA-N
XLogP3.20
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-difluorophenyl)-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (CID 16728000) is 2-(2,6-difluorophenyl)-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-difluorophenyl)-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-difluorophenyl)-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is O=C1CSC(c2c(F)cccc2F)N1c1nccs1.
What is the InChIKey of 2-(2,6-difluorophenyl)-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is SWEIRTAPHPEBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2OS2/c13-7-2-1-3-8(14)10(7)11-16(9(17)6-19-11)12-15-4-5-18-12/h1-5,11H,6H2.
What are the key properties of 2-(2,6-difluorophenyl)-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
2-(2,6-difluorophenyl)-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 298.34 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 16728000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).