2-(2,6-dibromophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazolidin-4-one

C15H9Br2F3N2OS — CID 25189008

IUPAC2-(2,6-dibromophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(Br)cccc2Br)N1c1cccc(C(F)(F)F)n1
InChIInChI=1S/C15H9Br2F3N2OS/c16-8-3-1-4-9(17)13(8)14-22(12(23)7-24-14)11-6-2-5-10(21-11)15(18,19)20/h1-6,14H,7H2
InChIKeyBTASPJGFQPWKSU-UHFFFAOYSA-N
MW482.12 g/mol
LogP5.40
Rot. Bonds2

About 2-(2,6-dibromophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazolidin-4-one

2-(2,6-dibromophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazolidin-4-one (PubChem CID 25189008) has the molecular formula C15H9Br2F3N2OS and a molecular weight of 482.12 g/mol. Its IUPAC name is 2-(2,6-dibromophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-dibromophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazolidin-4-one
PubChem CID25189008
Molecular FormulaC15H9Br2F3N2OS
Molecular Weight482.12 g/mol
Exact Mass479.88
IUPAC Name2-(2,6-dibromophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(Br)cccc2Br)N1c1cccc(C(F)(F)F)n1
InChIInChI=1S/C15H9Br2F3N2OS/c16-8-3-1-4-9(17)13(8)14-22(12(23)7-24-14)11-6-2-5-10(21-11)15(18,19)20/h1-6,14H,7H2
InChIKeyBTASPJGFQPWKSU-UHFFFAOYSA-N
XLogP5.40
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.12
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
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-(2,6-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-(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
2-(2,6-Dibromophenyl)-3-(6-methyl-2-pyridyl)thiazolidin-4-one
CID 25189015
2-(2,6-Dibromophenyl)-3-(4,6-dimethylpyrimidin-2-yl)thiazolidin-4-one
CID 25189287
2-(2-Fluoro-6-methyl-phenyl)-3-(6-methyl-pyridin-2-yl)-thiazolidin-4-one
CID 44367132
3-(5-Bromo-4,6-dimethyl-2-pyridyl)-2-(2,6-difluorophenyl)thiazolidin-4-one
CID 90681372

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-dibromophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazolidin-4-one (CID 25189008) is 2-(2,6-dibromophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-dibromophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-dibromophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazolidin-4-one is O=C1CSC(c2c(Br)cccc2Br)N1c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-(2,6-dibromophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazolidin-4-one?
The InChIKey is BTASPJGFQPWKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2F3N2OS/c16-8-3-1-4-9(17)13(8)14-22(12(23)7-24-14)11-6-2-5-10(21-11)15(18,19)20/h1-6,14H,7H2.
What are the key properties of 2-(2,6-dibromophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazolidin-4-one?
2-(2,6-dibromophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazolidin-4-one has a molecular weight of 482.12 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 25189008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).