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

C13H9F2N3OS — CID 3012187

IUPAC2-(2,6-difluorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(F)cccc2F)N1c1ncccn1
InChIInChI=1S/C13H9F2N3OS/c14-8-3-1-4-9(15)11(8)12-18(10(19)7-20-12)13-16-5-2-6-17-13/h1-6,12H,7H2
InChIKeyDSSJMFNIJGKJMW-UHFFFAOYSA-N
MW293.30 g/mol
LogP2.53
Rot. Bonds2

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

2-(2,6-difluorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one (PubChem CID 3012187) has the molecular formula C13H9F2N3OS and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one
PubChem CID3012187
Molecular FormulaC13H9F2N3OS
Molecular Weight293.30 g/mol
Exact Mass293.04
IUPAC Name2-(2,6-difluorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(F)cccc2F)N1c1ncccn1
InChIInChI=1S/C13H9F2N3OS/c14-8-3-1-4-9(15)11(8)12-18(10(19)7-20-12)13-16-5-2-6-17-13/h1-6,12H,7H2
InChIKeyDSSJMFNIJGKJMW-UHFFFAOYSA-N
XLogP2.53
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-methylphenyl)-2-(pyrimidin-2-ylsulfanyl)acetamide
CID 2592809
1-(2,3-Dihydroindol-1-yl)-2-pyrimidin-2-ylsulfanylpropan-1-one
CID 4819309
1-(2-Methylindolin-1-yl)-2-(2-pyrimidylthio)ethanone
CID 16488278
3-(2-Pyrimidinylthio)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 2950432
4-Thiazolidinone, 2-(2,6-difluorophenyl)-3-(2-pyridinyl)-
CID 486675
4-Thiazolidinone, 2-(2,6-difluorophenyl)-3-(6-methyl-2-pyridinyl)-
CID 486679
4-Thiazolidinone, 2-(2,6-difluorophenyl)-3-(4-methyl-2-pyridinyl)-
CID 486681
2-(2-Chloro-6-fluoro-phenyl)-3-(2-pyridyl)thiazolidin-4-one
CID 501027
2-(2-Chloro-6-fluoro-phenyl)-3-(4-methyl-pyridin-2-yl)-thiazolidin-4-one
CID 501038
2-[[5-(4-Fluorophenyl)-1-methyl-2-imidazolyl]thio]-1-(1-piperidinyl)ethanone
CID 649804
1-(2,3-Dihydroindol-1-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone
CID 712214
N-(2-phenylethyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 846435

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-difluorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one (CID 3012187) is 2-(2,6-difluorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-difluorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-difluorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one is O=C1CSC(c2c(F)cccc2F)N1c1ncccn1.
What is the InChIKey of 2-(2,6-difluorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one?
The InChIKey is DSSJMFNIJGKJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3OS/c14-8-3-1-4-9(15)11(8)12-18(10(19)7-20-12)13-16-5-2-6-17-13/h1-6,12H,7H2.
What are the key properties of 2-(2,6-difluorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one?
2-(2,6-difluorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one has a molecular weight of 293.30 g/mol, XLogP of 2.53, 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-pyrimidin-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3012187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).