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

C14H10Br2N2OS — CID 25188737

IUPAC2-(2,6-dibromophenyl)-3-pyridin-2-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(Br)cccc2Br)N1c1ccccn1
InChIInChI=1S/C14H10Br2N2OS/c15-9-4-3-5-10(16)13(9)14-18(12(19)8-20-14)11-6-1-2-7-17-11/h1-7,14H,8H2
InChIKeyNYUBQHFTOCHKFG-UHFFFAOYSA-N
MW414.12 g/mol
LogP4.39
Rot. Bonds2

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

2-(2,6-dibromophenyl)-3-pyridin-2-yl-1,3-thiazolidin-4-one (PubChem CID 25188737) has the molecular formula C14H10Br2N2OS and a molecular weight of 414.12 g/mol. Its IUPAC name is 2-(2,6-dibromophenyl)-3-pyridin-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-dibromophenyl)-3-pyridin-2-yl-1,3-thiazolidin-4-one
PubChem CID25188737
Molecular FormulaC14H10Br2N2OS
Molecular Weight414.12 g/mol
Exact Mass411.89
IUPAC Name2-(2,6-dibromophenyl)-3-pyridin-2-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(Br)cccc2Br)N1c1ccccn1
InChIInChI=1S/C14H10Br2N2OS/c15-9-4-3-5-10(16)13(9)14-18(12(19)8-20-14)11-6-1-2-7-17-11/h1-7,14H,8H2
InChIKeyNYUBQHFTOCHKFG-UHFFFAOYSA-N
XLogP4.39
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.12
LogP ≤ 54.39
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-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-dibromophenyl)-3-pyridin-2-yl-1,3-thiazolidin-4-one (CID 25188737) is 2-(2,6-dibromophenyl)-3-pyridin-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-dibromophenyl)-3-pyridin-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-dibromophenyl)-3-pyridin-2-yl-1,3-thiazolidin-4-one is O=C1CSC(c2c(Br)cccc2Br)N1c1ccccn1.
What is the InChIKey of 2-(2,6-dibromophenyl)-3-pyridin-2-yl-1,3-thiazolidin-4-one?
The InChIKey is NYUBQHFTOCHKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2OS/c15-9-4-3-5-10(16)13(9)14-18(12(19)8-20-14)11-6-1-2-7-17-11/h1-7,14H,8H2.
What are the key properties of 2-(2,6-dibromophenyl)-3-pyridin-2-yl-1,3-thiazolidin-4-one?
2-(2,6-dibromophenyl)-3-pyridin-2-yl-1,3-thiazolidin-4-one has a molecular weight of 414.12 g/mol, XLogP of 4.39, 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-pyridin-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 25188737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).