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

C14H9BrClFN2OS — CID 501037

IUPAC3-(6-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(F)cccc2Cl)N1c1cccc(Br)n1
InChIInChI=1S/C14H9BrClFN2OS/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
InChIKeyGHPFXCJPKKEVRD-UHFFFAOYSA-N
MW387.66 g/mol
LogP4.42
Rot. Bonds2

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

3-(6-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)-1,3-thiazolidin-4-one (PubChem CID 501037) has the molecular formula C14H9BrClFN2OS and a molecular weight of 387.66 g/mol. Its IUPAC name is 3-(6-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(6-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)-1,3-thiazolidin-4-one
PubChem CID501037
Molecular FormulaC14H9BrClFN2OS
Molecular Weight387.66 g/mol
Exact Mass385.93
IUPAC Name3-(6-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(F)cccc2Cl)N1c1cccc(Br)n1
InChIInChI=1S/C14H9BrClFN2OS/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
InChIKeyGHPFXCJPKKEVRD-UHFFFAOYSA-N
XLogP4.42
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.66
LogP ≤ 54.42
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-chloro-6-fluorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(6-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)-1,3-thiazolidin-4-one (CID 501037) is 3-(6-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(6-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(6-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2c(F)cccc2Cl)N1c1cccc(Br)n1.
What is the InChIKey of 3-(6-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is GHPFXCJPKKEVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFN2OS/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-chloro-6-fluorophenyl)-1,3-thiazolidin-4-one?
3-(6-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 387.66 g/mol, XLogP of 4.42, 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-chloro-6-fluorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 501037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).