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

C15H12Br2N2OS — CID 25189015

IUPAC2-(2,6-dibromophenyl)-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one
SMILESCc1cccc(N2C(=O)CSC2c2c(Br)cccc2Br)n1
InChIInChI=1S/C15H12Br2N2OS/c1-9-4-2-7-12(18-9)19-13(20)8-21-15(19)14-10(16)5-3-6-11(14)17/h2-7,15H,8H2,1H3
InChIKeyVHPFJDMTWBZSOU-UHFFFAOYSA-N
MW428.15 g/mol
LogP4.69
Rot. Bonds2

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

2-(2,6-dibromophenyl)-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one (PubChem CID 25189015) has the molecular formula C15H12Br2N2OS and a molecular weight of 428.15 g/mol. Its IUPAC name is 2-(2,6-dibromophenyl)-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-dibromophenyl)-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one
PubChem CID25189015
Molecular FormulaC15H12Br2N2OS
Molecular Weight428.15 g/mol
Exact Mass425.90
IUPAC Name2-(2,6-dibromophenyl)-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one
SMILESCc1cccc(N2C(=O)CSC2c2c(Br)cccc2Br)n1
InChIInChI=1S/C15H12Br2N2OS/c1-9-4-2-7-12(18-9)19-13(20)8-21-15(19)14-10(16)5-3-6-11(14)17/h2-7,15H,8H2,1H3
InChIKeyVHPFJDMTWBZSOU-UHFFFAOYSA-N
XLogP4.69
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.15
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromophenyl)-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-dibromophenyl)-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one (CID 25189015) is 2-(2,6-dibromophenyl)-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-dibromophenyl)-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-dibromophenyl)-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one is Cc1cccc(N2C(=O)CSC2c2c(Br)cccc2Br)n1.
What is the InChIKey of 2-(2,6-dibromophenyl)-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one?
The InChIKey is VHPFJDMTWBZSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2N2OS/c1-9-4-2-7-12(18-9)19-13(20)8-21-15(19)14-10(16)5-3-6-11(14)17/h2-7,15H,8H2,1H3.
What are the key properties of 2-(2,6-dibromophenyl)-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one?
2-(2,6-dibromophenyl)-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one has a molecular weight of 428.15 g/mol, XLogP of 4.69, 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-methyl-2-pyridinyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 25189015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).