2-(2,6-difluorophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one

C15H10F5N3OS — CID 16728905

IUPAC2-(2,6-difluorophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one
SMILESCc1cc(C(F)(F)F)nc(N2C(=O)CSC2c2c(F)cccc2F)n1
InChIInChI=1S/C15H10F5N3OS/c1-7-5-10(15(18,19)20)22-14(21-7)23-11(24)6-25-13(23)12-8(16)3-2-4-9(12)17/h2-5,13H,6H2,1H3
InChIKeyVIFULZIJWNLPMR-UHFFFAOYSA-N
MW375.32 g/mol
LogP3.86
Rot. Bonds2

About 2-(2,6-difluorophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one

2-(2,6-difluorophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one (PubChem CID 16728905) has the molecular formula C15H10F5N3OS and a molecular weight of 375.32 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one
PubChem CID16728905
Molecular FormulaC15H10F5N3OS
Molecular Weight375.32 g/mol
Exact Mass375.05
IUPAC Name2-(2,6-difluorophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one
SMILESCc1cc(C(F)(F)F)nc(N2C(=O)CSC2c2c(F)cccc2F)n1
InChIInChI=1S/C15H10F5N3OS/c1-7-5-10(15(18,19)20)22-14(21-7)23-11(24)6-25-13(23)12-8(16)3-2-4-9(12)17/h2-5,13H,6H2,1H3
InChIKeyVIFULZIJWNLPMR-UHFFFAOYSA-N
XLogP3.86
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-difluorophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one with MolForge

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Related Compounds

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-(2,6-Difluorophenyl)-3-(4,6-dimethyl-2-pyridyl)thiazolidin-4-one
CID 497213
2-(2-Chloro-6-fluoro-phenyl)-3-(6-methyl-2-pyridyl)thiazolidin-4-one
CID 501040
2-(2-Chloro-6-fluoro-phenyl)-3-(4,6-dimethyl-2-pyridyl)thiazolidin-4-one
CID 501042
2-(4-Methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 722455
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
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-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-difluorophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one (CID 16728905) is 2-(2,6-difluorophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-difluorophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-difluorophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one is Cc1cc(C(F)(F)F)nc(N2C(=O)CSC2c2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluorophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one?
The InChIKey is VIFULZIJWNLPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F5N3OS/c1-7-5-10(15(18,19)20)22-14(21-7)23-11(24)6-25-13(23)12-8(16)3-2-4-9(12)17/h2-5,13H,6H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one?
2-(2,6-difluorophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one has a molecular weight of 375.32 g/mol, XLogP of 3.86, 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-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 16728905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).