2-(2,6-dibromophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one

C15H12Br2N2OS — CID 25058725

IUPAC2-(2,6-dibromophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(Br)cccc2Br)N1Cc1ccccn1
InChIInChI=1S/C15H12Br2N2OS/c16-11-5-3-6-12(17)14(11)15-19(13(20)9-21-15)8-10-4-1-2-7-18-10/h1-7,15H,8-9H2
InChIKeyGFWIMDJRXHUFDG-UHFFFAOYSA-N
MW428.15 g/mol
LogP4.38
Rot. Bonds3

About 2-(2,6-dibromophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one

2-(2,6-dibromophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 25058725) has the molecular formula C15H12Br2N2OS and a molecular weight of 428.15 g/mol. Its IUPAC name is 2-(2,6-dibromophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-dibromophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID25058725
Molecular FormulaC15H12Br2N2OS
Molecular Weight428.15 g/mol
Exact Mass425.90
IUPAC Name2-(2,6-dibromophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(Br)cccc2Br)N1Cc1ccccn1
InChIInChI=1S/C15H12Br2N2OS/c16-11-5-3-6-12(17)14(11)15-19(13(20)9-21-15)8-10-4-1-2-7-18-10/h1-7,15H,8-9H2
InChIKeyGFWIMDJRXHUFDG-UHFFFAOYSA-N
XLogP4.38
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.15
LogP ≤ 54.38
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-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-dibromophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one (CID 25058725) is 2-(2,6-dibromophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-dibromophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-dibromophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one is O=C1CSC(c2c(Br)cccc2Br)N1Cc1ccccn1.
What is the InChIKey of 2-(2,6-dibromophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is GFWIMDJRXHUFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2N2OS/c16-11-5-3-6-12(17)14(11)15-19(13(20)9-21-15)8-10-4-1-2-7-18-10/h1-7,15H,8-9H2.
What are the key properties of 2-(2,6-dibromophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one?
2-(2,6-dibromophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 428.15 g/mol, XLogP of 4.38, 3 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-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 25058725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).