2-(2,6-difluorophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one

C16H15F2N3OS — CID 16728917

IUPAC2-(2,6-difluorophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one
SMILESCc1nc(N2C(=O)CSC2c2c(F)cccc2F)nc(C)c1C
InChIInChI=1S/C16H15F2N3OS/c1-8-9(2)19-16(20-10(8)3)21-13(22)7-23-15(21)14-11(17)5-4-6-12(14)18/h4-6,15H,7H2,1-3H3
InChIKeyDASQPWOVZRVXCA-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.46
Rot. Bonds2

About 2-(2,6-difluorophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one

2-(2,6-difluorophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one (PubChem CID 16728917) has the molecular formula C16H15F2N3OS and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one
PubChem CID16728917
Molecular FormulaC16H15F2N3OS
Molecular Weight335.38 g/mol
Exact Mass335.09
IUPAC Name2-(2,6-difluorophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one
SMILESCc1nc(N2C(=O)CSC2c2c(F)cccc2F)nc(C)c1C
InChIInChI=1S/C16H15F2N3OS/c1-8-9(2)19-16(20-10(8)3)21-13(22)7-23-15(21)14-11(17)5-4-6-12(14)18/h4-6,15H,7H2,1-3H3
InChIKeyDASQPWOVZRVXCA-UHFFFAOYSA-N
XLogP3.46
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.46
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-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-difluorophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one (CID 16728917) is 2-(2,6-difluorophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-difluorophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-difluorophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one is Cc1nc(N2C(=O)CSC2c2c(F)cccc2F)nc(C)c1C.
What is the InChIKey of 2-(2,6-difluorophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is DASQPWOVZRVXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3OS/c1-8-9(2)19-16(20-10(8)3)21-13(22)7-23-15(21)14-11(17)5-4-6-12(14)18/h4-6,15H,7H2,1-3H3.
What are the key properties of 2-(2,6-difluorophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
2-(2,6-difluorophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 335.38 g/mol, XLogP of 3.46, 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-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 16728917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).