3-(6-bromo-2-pyridinyl)-2-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one

C14H9BrCl2N2OS — CID 501036

IUPAC3-(6-bromo-2-pyridinyl)-2-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(Cl)cccc2Cl)N1c1cccc(Br)n1
InChIInChI=1S/C14H9BrCl2N2OS/c15-10-5-2-6-11(18-10)19-12(20)7-21-14(19)13-8(16)3-1-4-9(13)17/h1-6,14H,7H2
InChIKeySFMQMMHUFLKDAG-UHFFFAOYSA-N
MW404.12 g/mol
LogP4.93
Rot. Bonds2

About 3-(6-bromo-2-pyridinyl)-2-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one

3-(6-bromo-2-pyridinyl)-2-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one (PubChem CID 501036) has the molecular formula C14H9BrCl2N2OS and a molecular weight of 404.12 g/mol. Its IUPAC name is 3-(6-bromo-2-pyridinyl)-2-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(6-bromo-2-pyridinyl)-2-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one
PubChem CID501036
Molecular FormulaC14H9BrCl2N2OS
Molecular Weight404.12 g/mol
Exact Mass401.90
IUPAC Name3-(6-bromo-2-pyridinyl)-2-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(Cl)cccc2Cl)N1c1cccc(Br)n1
InChIInChI=1S/C14H9BrCl2N2OS/c15-10-5-2-6-11(18-10)19-12(20)7-21-14(19)13-8(16)3-1-4-9(13)17/h1-6,14H,7H2
InChIKeySFMQMMHUFLKDAG-UHFFFAOYSA-N
XLogP4.93
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.12
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-2-pyridinyl)-2-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(6-bromo-2-pyridinyl)-2-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one (CID 501036) is 3-(6-bromo-2-pyridinyl)-2-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(6-bromo-2-pyridinyl)-2-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(6-bromo-2-pyridinyl)-2-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2c(Cl)cccc2Cl)N1c1cccc(Br)n1.
What is the InChIKey of 3-(6-bromo-2-pyridinyl)-2-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is SFMQMMHUFLKDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2N2OS/c15-10-5-2-6-11(18-10)19-12(20)7-21-14(19)13-8(16)3-1-4-9(13)17/h1-6,14H,7H2.
What are the key properties of 3-(6-bromo-2-pyridinyl)-2-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one?
3-(6-bromo-2-pyridinyl)-2-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 404.12 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-2-pyridinyl)-2-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 501036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).