2-(2,6-dibromophenyl)-3-(2,6-dimethylpyrimidin-4-yl)-1,3-thiazolidin-4-one

C15H13Br2N3OS — CID 25189013

IUPAC2-(2,6-dibromophenyl)-3-(2,6-dimethylpyrimidin-4-yl)-1,3-thiazolidin-4-one
SMILESCc1cc(N2C(=O)CSC2c2c(Br)cccc2Br)nc(C)n1
InChIInChI=1S/C15H13Br2N3OS/c1-8-6-12(19-9(2)18-8)20-13(21)7-22-15(20)14-10(16)4-3-5-11(14)17/h3-6,15H,7H2,1-2H3
InChIKeyYKUIOHPBVGRKEA-UHFFFAOYSA-N
MW443.16 g/mol
LogP4.40
Rot. Bonds2

About 2-(2,6-dibromophenyl)-3-(2,6-dimethylpyrimidin-4-yl)-1,3-thiazolidin-4-one

2-(2,6-dibromophenyl)-3-(2,6-dimethylpyrimidin-4-yl)-1,3-thiazolidin-4-one (PubChem CID 25189013) has the molecular formula C15H13Br2N3OS and a molecular weight of 443.16 g/mol. Its IUPAC name is 2-(2,6-dibromophenyl)-3-(2,6-dimethylpyrimidin-4-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-dibromophenyl)-3-(2,6-dimethylpyrimidin-4-yl)-1,3-thiazolidin-4-one
PubChem CID25189013
Molecular FormulaC15H13Br2N3OS
Molecular Weight443.16 g/mol
Exact Mass440.91
IUPAC Name2-(2,6-dibromophenyl)-3-(2,6-dimethylpyrimidin-4-yl)-1,3-thiazolidin-4-one
SMILESCc1cc(N2C(=O)CSC2c2c(Br)cccc2Br)nc(C)n1
InChIInChI=1S/C15H13Br2N3OS/c1-8-6-12(19-9(2)18-8)20-13(21)7-22-15(20)14-10(16)4-3-5-11(14)17/h3-6,15H,7H2,1-2H3
InChIKeyYKUIOHPBVGRKEA-UHFFFAOYSA-N
XLogP4.40
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.16
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-Bromo-2-pyridyl)-2-(2,6-difluorophenyl)thiazolidin-4-one
CID 497214
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-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
3-(5-Bromo-4,6-dimethyl-2-pyridyl)-2-(2,6-difluorophenyl)thiazolidin-4-one
CID 90681372
2-(2,6-Difluorophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]thiazolidin-4-one
CID 16728905
2-(2,6-Dibromophenyl)-3-(6-trifluoromethylpyridin-2-yl)thiazolidin-4-one
CID 25189008

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromophenyl)-3-(2,6-dimethylpyrimidin-4-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-dibromophenyl)-3-(2,6-dimethylpyrimidin-4-yl)-1,3-thiazolidin-4-one (CID 25189013) is 2-(2,6-dibromophenyl)-3-(2,6-dimethylpyrimidin-4-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-dibromophenyl)-3-(2,6-dimethylpyrimidin-4-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-dibromophenyl)-3-(2,6-dimethylpyrimidin-4-yl)-1,3-thiazolidin-4-one is Cc1cc(N2C(=O)CSC2c2c(Br)cccc2Br)nc(C)n1.
What is the InChIKey of 2-(2,6-dibromophenyl)-3-(2,6-dimethylpyrimidin-4-yl)-1,3-thiazolidin-4-one?
The InChIKey is YKUIOHPBVGRKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2N3OS/c1-8-6-12(19-9(2)18-8)20-13(21)7-22-15(20)14-10(16)4-3-5-11(14)17/h3-6,15H,7H2,1-2H3.
What are the key properties of 2-(2,6-dibromophenyl)-3-(2,6-dimethylpyrimidin-4-yl)-1,3-thiazolidin-4-one?
2-(2,6-dibromophenyl)-3-(2,6-dimethylpyrimidin-4-yl)-1,3-thiazolidin-4-one has a molecular weight of 443.16 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromophenyl)-3-(2,6-dimethylpyrimidin-4-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 25189013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).