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

C15H11Br3N2OS — CID 25189009

IUPAC3-(5-bromo-6-methyl-2-pyridinyl)-2-(2,6-dibromophenyl)-1,3-thiazolidin-4-one
SMILESCc1nc(N2C(=O)CSC2c2c(Br)cccc2Br)ccc1Br
InChIInChI=1S/C15H11Br3N2OS/c1-8-9(16)5-6-12(19-8)20-13(21)7-22-15(20)14-10(17)3-2-4-11(14)18/h2-6,15H,7H2,1H3
InChIKeyORYTYBJCCXFQQJ-UHFFFAOYSA-N
MW507.05 g/mol
LogP5.46
Rot. Bonds2

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

3-(5-bromo-6-methyl-2-pyridinyl)-2-(2,6-dibromophenyl)-1,3-thiazolidin-4-one (PubChem CID 25189009) has the molecular formula C15H11Br3N2OS and a molecular weight of 507.05 g/mol. Its IUPAC name is 3-(5-bromo-6-methyl-2-pyridinyl)-2-(2,6-dibromophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(5-bromo-6-methyl-2-pyridinyl)-2-(2,6-dibromophenyl)-1,3-thiazolidin-4-one
PubChem CID25189009
Molecular FormulaC15H11Br3N2OS
Molecular Weight507.05 g/mol
Exact Mass503.81
IUPAC Name3-(5-bromo-6-methyl-2-pyridinyl)-2-(2,6-dibromophenyl)-1,3-thiazolidin-4-one
SMILESCc1nc(N2C(=O)CSC2c2c(Br)cccc2Br)ccc1Br
InChIInChI=1S/C15H11Br3N2OS/c1-8-9(16)5-6-12(19-8)20-13(21)7-22-15(20)14-10(17)3-2-4-11(14)18/h2-6,15H,7H2,1H3
InChIKeyORYTYBJCCXFQQJ-UHFFFAOYSA-N
XLogP5.46
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.05
LogP ≤ 55.46
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
2-(2,6-Dibromophenyl)-3-(2-pyridylmethyl)thiazolidin-4-one
CID 25058725
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-(pyrimidin-2-yl)thiazolidin-4-one
CID 25189286
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

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-6-methyl-2-pyridinyl)-2-(2,6-dibromophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(5-bromo-6-methyl-2-pyridinyl)-2-(2,6-dibromophenyl)-1,3-thiazolidin-4-one (CID 25189009) is 3-(5-bromo-6-methyl-2-pyridinyl)-2-(2,6-dibromophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(5-bromo-6-methyl-2-pyridinyl)-2-(2,6-dibromophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(5-bromo-6-methyl-2-pyridinyl)-2-(2,6-dibromophenyl)-1,3-thiazolidin-4-one is Cc1nc(N2C(=O)CSC2c2c(Br)cccc2Br)ccc1Br.
What is the InChIKey of 3-(5-bromo-6-methyl-2-pyridinyl)-2-(2,6-dibromophenyl)-1,3-thiazolidin-4-one?
The InChIKey is ORYTYBJCCXFQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br3N2OS/c1-8-9(16)5-6-12(19-8)20-13(21)7-22-15(20)14-10(17)3-2-4-11(14)18/h2-6,15H,7H2,1H3.
What are the key properties of 3-(5-bromo-6-methyl-2-pyridinyl)-2-(2,6-dibromophenyl)-1,3-thiazolidin-4-one?
3-(5-bromo-6-methyl-2-pyridinyl)-2-(2,6-dibromophenyl)-1,3-thiazolidin-4-one has a molecular weight of 507.05 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-6-methyl-2-pyridinyl)-2-(2,6-dibromophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 25189009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).