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

C13H9Br2N3OS — CID 25189286

IUPAC2-(2,6-dibromophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(Br)cccc2Br)N1c1ncccn1
InChIInChI=1S/C13H9Br2N3OS/c14-8-3-1-4-9(15)11(8)12-18(10(19)7-20-12)13-16-5-2-6-17-13/h1-6,12H,7H2
InChIKeyXLOVMFJBYNKLMU-UHFFFAOYSA-N
MW415.11 g/mol
LogP3.78
Rot. Bonds2

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

2-(2,6-dibromophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one (PubChem CID 25189286) has the molecular formula C13H9Br2N3OS and a molecular weight of 415.11 g/mol. Its IUPAC name is 2-(2,6-dibromophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-dibromophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one
PubChem CID25189286
Molecular FormulaC13H9Br2N3OS
Molecular Weight415.11 g/mol
Exact Mass412.88
IUPAC Name2-(2,6-dibromophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(Br)cccc2Br)N1c1ncccn1
InChIInChI=1S/C13H9Br2N3OS/c14-8-3-1-4-9(15)11(8)12-18(10(19)7-20-12)13-16-5-2-6-17-13/h1-6,12H,7H2
InChIKeyXLOVMFJBYNKLMU-UHFFFAOYSA-N
XLogP3.78
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.11
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-(5-Bromo-pyridin-2-yl)-2-(2,6-difluoro-phenyl)-thiazolidin-4-one
CID 501035
2-(2-Bromophenyl)-3-(5-chloropyridin-2-yl)-1,3-thiazolidin-4-one
CID 3709724
3-(5-Bromo-6-methyl-2-pyridyl)-2-(2,6-dibromophenyl)thiazolidin-4-one
CID 25189009
2-(2,6-Dibromophenyl)-3-(2,6-dimethylpyrimidin-4-yl)thiazolidin-4-one
CID 25189013
4-Thiazolidinone, 2-(o-chlorophenyl)-3-(2-pyrimidinyl)-
CID 3024633
2-(2,6-Difluorophenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
CID 513691

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-dibromophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one (CID 25189286) is 2-(2,6-dibromophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-dibromophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-dibromophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one is O=C1CSC(c2c(Br)cccc2Br)N1c1ncccn1.
What is the InChIKey of 2-(2,6-dibromophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one?
The InChIKey is XLOVMFJBYNKLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2N3OS/c14-8-3-1-4-9(15)11(8)12-18(10(19)7-20-12)13-16-5-2-6-17-13/h1-6,12H,7H2.
What are the key properties of 2-(2,6-dibromophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one?
2-(2,6-dibromophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one has a molecular weight of 415.11 g/mol, XLogP of 3.78, 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-pyrimidin-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 25189286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).