2-(2,6-dibromophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one

C16H15Br2N3OS — CID 25189012

IUPAC2-(2,6-dibromophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one
SMILESCc1nc(N2C(=O)CSC2c2c(Br)cccc2Br)nc(C)c1C
InChIInChI=1S/C16H15Br2N3OS/c1-8-9(2)19-16(20-10(8)3)21-13(22)7-23-15(21)14-11(17)5-4-6-12(14)18/h4-6,15H,7H2,1-3H3
InChIKeyATTPTERJORBYCK-UHFFFAOYSA-N
MW457.19 g/mol
LogP4.71
Rot. Bonds2

About 2-(2,6-dibromophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one

2-(2,6-dibromophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one (PubChem CID 25189012) has the molecular formula C16H15Br2N3OS and a molecular weight of 457.19 g/mol. Its IUPAC name is 2-(2,6-dibromophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-dibromophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one
PubChem CID25189012
Molecular FormulaC16H15Br2N3OS
Molecular Weight457.19 g/mol
Exact Mass454.93
IUPAC Name2-(2,6-dibromophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one
SMILESCc1nc(N2C(=O)CSC2c2c(Br)cccc2Br)nc(C)c1C
InChIInChI=1S/C16H15Br2N3OS/c1-8-9(2)19-16(20-10(8)3)21-13(22)7-23-15(21)14-11(17)5-4-6-12(14)18/h4-6,15H,7H2,1-3H3
InChIKeyATTPTERJORBYCK-UHFFFAOYSA-N
XLogP4.71
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.19
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-dibromophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 722455
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-(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-Difluorophenyl)-3-(4-methyl-6-phenyl-pyrimidin-2-yl)thiazolidin-4-one
CID 16728908
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-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-dibromophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one (CID 25189012) is 2-(2,6-dibromophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-dibromophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-dibromophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one is Cc1nc(N2C(=O)CSC2c2c(Br)cccc2Br)nc(C)c1C.
What is the InChIKey of 2-(2,6-dibromophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is ATTPTERJORBYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2N3OS/c1-8-9(2)19-16(20-10(8)3)21-13(22)7-23-15(21)14-11(17)5-4-6-12(14)18/h4-6,15H,7H2,1-3H3.
What are the key properties of 2-(2,6-dibromophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
2-(2,6-dibromophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 457.19 g/mol, XLogP of 4.71, 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-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 25189012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).