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

C20H15F2N3OS — CID 16728908

IUPAC2-(2,6-difluorophenyl)-3-(4-methyl-6-phenylpyrimidin-2-yl)-1,3-thiazolidin-4-one
SMILESCc1cc(-c2ccccc2)nc(N2C(=O)CSC2c2c(F)cccc2F)n1
InChIInChI=1S/C20H15F2N3OS/c1-12-10-16(13-6-3-2-4-7-13)24-20(23-12)25-17(26)11-27-19(25)18-14(21)8-5-9-15(18)22/h2-10,19H,11H2,1H3
InChIKeyCWQZTHKGSPMMPI-UHFFFAOYSA-N
MW383.42 g/mol
LogP4.51
Rot. Bonds3

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

2-(2,6-difluorophenyl)-3-(4-methyl-6-phenylpyrimidin-2-yl)-1,3-thiazolidin-4-one (PubChem CID 16728908) has the molecular formula C20H15F2N3OS and a molecular weight of 383.42 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-3-(4-methyl-6-phenylpyrimidin-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-3-(4-methyl-6-phenylpyrimidin-2-yl)-1,3-thiazolidin-4-one
PubChem CID16728908
Molecular FormulaC20H15F2N3OS
Molecular Weight383.42 g/mol
Exact Mass383.09
IUPAC Name2-(2,6-difluorophenyl)-3-(4-methyl-6-phenylpyrimidin-2-yl)-1,3-thiazolidin-4-one
SMILESCc1cc(-c2ccccc2)nc(N2C(=O)CSC2c2c(F)cccc2F)n1
InChIInChI=1S/C20H15F2N3OS/c1-12-10-16(13-6-3-2-4-7-13)24-20(23-12)25-17(26)11-27-19(25)18-14(21)8-5-9-15(18)22/h2-10,19H,11H2,1H3
InChIKeyCWQZTHKGSPMMPI-UHFFFAOYSA-N
XLogP4.51
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-difluorophenyl)-3-(4-methyl-6-phenylpyrimidin-2-yl)-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Thiazolidinone, 2-(2,6-difluorophenyl)-3-(6-methyl-2-pyridinyl)-
CID 486679
2-(2,6-Difluorophenyl)-3-(4,6-dimethyl-2-pyridyl)thiazolidin-4-one
CID 497213
1-[2-[4-Phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoyl]piperidine-4-carboxamide
CID 649304
2-(4-Methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 722455
N-Benzyl-2-(4-thiophen-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 993268
N-benzyl-2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-methylacetamide
CID 993299
2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 993301
1-Morpholin-4-yl-2-(4-phenyl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-ethanone
CID 1140843
2-(4-Phenyl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 1140873
N-(tert-butyl)-2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-ylthio]ace tamide
CID 1146213
Isopropyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide
CID 1479524
2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}-N-(2-phenylethyl)acetamide
CID 3144676

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-3-(4-methyl-6-phenylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-difluorophenyl)-3-(4-methyl-6-phenylpyrimidin-2-yl)-1,3-thiazolidin-4-one (CID 16728908) is 2-(2,6-difluorophenyl)-3-(4-methyl-6-phenylpyrimidin-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-difluorophenyl)-3-(4-methyl-6-phenylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-difluorophenyl)-3-(4-methyl-6-phenylpyrimidin-2-yl)-1,3-thiazolidin-4-one is Cc1cc(-c2ccccc2)nc(N2C(=O)CSC2c2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluorophenyl)-3-(4-methyl-6-phenylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is CWQZTHKGSPMMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3OS/c1-12-10-16(13-6-3-2-4-7-13)24-20(23-12)25-17(26)11-27-19(25)18-14(21)8-5-9-15(18)22/h2-10,19H,11H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-3-(4-methyl-6-phenylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
2-(2,6-difluorophenyl)-3-(4-methyl-6-phenylpyrimidin-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 383.42 g/mol, XLogP of 4.51, 3 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-methyl-6-phenylpyrimidin-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 16728908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).