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

C14H9BrF2N2OS — CID 501035

IUPAC3-(5-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(F)cccc2F)N1c1ccc(Br)cn1
InChIInChI=1S/C14H9BrF2N2OS/c15-8-4-5-11(18-6-8)19-12(20)7-21-14(19)13-9(16)2-1-3-10(13)17/h1-6,14H,7H2
InChIKeyLBRDMVUKHABDGX-UHFFFAOYSA-N
MW371.21 g/mol
LogP3.90
Rot. Bonds2

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

3-(5-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one (PubChem CID 501035) has the molecular formula C14H9BrF2N2OS and a molecular weight of 371.21 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one
PubChem CID501035
Molecular FormulaC14H9BrF2N2OS
Molecular Weight371.21 g/mol
Exact Mass369.96
IUPAC Name3-(5-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(F)cccc2F)N1c1ccc(Br)cn1
InChIInChI=1S/C14H9BrF2N2OS/c15-8-4-5-11(18-6-8)19-12(20)7-21-14(19)13-9(16)2-1-3-10(13)17/h1-6,14H,7H2
InChIKeyLBRDMVUKHABDGX-UHFFFAOYSA-N
XLogP3.90
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.21
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
2-(2-Chloro-6-fluoro-phenyl)-3-(2-pyridyl)thiazolidin-4-one
CID 501027
3-(6-Bromo-2-pyridyl)-2-(2-chloro-6-fluoro-phenyl)thiazolidin-4-one
CID 501037
2-(2-Chloro-6-fluoro-phenyl)-3-(4-methyl-pyridin-2-yl)-thiazolidin-4-one
CID 501038
2-(2,6-Dibromophenyl)-3-pyridin-2-yl-1,3-thiazolidin-4-one
CID 25188737
2-(2,6-Dibromophenyl)-3-(4-methylpyrimidin-2-yl)thiazolidin-4-one
CID 25189010
2-(2,6-Dibromophenyl)-3-(6-methyl-2-pyridyl)thiazolidin-4-one
CID 25189015
2-(2,6-Dibromophenyl)-3-(pyrimidin-2-yl)thiazolidin-4-one
CID 25189286

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(5-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one (CID 501035) is 3-(5-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2c(F)cccc2F)N1c1ccc(Br)cn1.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is LBRDMVUKHABDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2N2OS/c15-8-4-5-11(18-6-8)19-12(20)7-21-14(19)13-9(16)2-1-3-10(13)17/h1-6,14H,7H2.
What are the key properties of 3-(5-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one?
3-(5-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 371.21 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 501035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).