3-(5-bromo-4,6-dimethyl-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one

C16H13BrF2N2OS — CID 90681372

IUPAC3-(5-bromo-4,6-dimethyl-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one
SMILESCc1cc(N2C(=O)CSC2c2c(F)cccc2F)nc(C)c1Br
InChIInChI=1S/C16H13BrF2N2OS/c1-8-6-12(20-9(2)15(8)17)21-13(22)7-23-16(21)14-10(18)4-3-5-11(14)19/h3-6,16H,7H2,1-2H3
InChIKeyKEZLIWGKUPJLMG-UHFFFAOYSA-N
MW399.26 g/mol
LogP4.52
Rot. Bonds2

About 3-(5-bromo-4,6-dimethyl-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one

3-(5-bromo-4,6-dimethyl-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one (PubChem CID 90681372) has the molecular formula C16H13BrF2N2OS and a molecular weight of 399.26 g/mol. Its IUPAC name is 3-(5-bromo-4,6-dimethyl-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(5-bromo-4,6-dimethyl-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one
PubChem CID90681372
Molecular FormulaC16H13BrF2N2OS
Molecular Weight399.26 g/mol
Exact Mass397.99
IUPAC Name3-(5-bromo-4,6-dimethyl-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one
SMILESCc1cc(N2C(=O)CSC2c2c(F)cccc2F)nc(C)c1Br
InChIInChI=1S/C16H13BrF2N2OS/c1-8-6-12(20-9(2)15(8)17)21-13(22)7-23-16(21)14-10(18)4-3-5-11(14)19/h3-6,16H,7H2,1-2H3
InChIKeyKEZLIWGKUPJLMG-UHFFFAOYSA-N
XLogP4.52
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.26
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(5-bromo-4,6-dimethyl-2-pyridinyl)-2-(2,6-difluorophenyl)-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
3-(6-Bromo-2-pyridyl)-2-(2,6-difluorophenyl)thiazolidin-4-one
CID 497214
3-(6-Bromo-2-pyridyl)-2-(2-chloro-6-fluoro-phenyl)thiazolidin-4-one
CID 501037
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-(2,6-Difluorophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)thiazolidin-4-one
CID 16728917
2-(2,6-Dibromophenyl)-3-pyridin-2-yl-1,3-thiazolidin-4-one
CID 25188737
2-(2,6-Dibromophenyl)-3-(4-methyl-6-trifluoromethylpyrimidin-2-yl)thiazolidin-4-one
CID 25189011
2-(2,6-Dibromophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)thiazolidin-4-one
CID 25189012

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-4,6-dimethyl-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(5-bromo-4,6-dimethyl-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one (CID 90681372) is 3-(5-bromo-4,6-dimethyl-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(5-bromo-4,6-dimethyl-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(5-bromo-4,6-dimethyl-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one is Cc1cc(N2C(=O)CSC2c2c(F)cccc2F)nc(C)c1Br.
What is the InChIKey of 3-(5-bromo-4,6-dimethyl-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is KEZLIWGKUPJLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF2N2OS/c1-8-6-12(20-9(2)15(8)17)21-13(22)7-23-16(21)14-10(18)4-3-5-11(14)19/h3-6,16H,7H2,1-2H3.
What are the key properties of 3-(5-bromo-4,6-dimethyl-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one?
3-(5-bromo-4,6-dimethyl-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 399.26 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-4,6-dimethyl-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 90681372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).