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

C15H12BrFN2O2S — CID 513682

IUPAC3-(6-bromo-2-pyridinyl)-2-(2-fluoro-6-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cccc(F)c1C1SCC(=O)N1c1cccc(Br)n1
InChIInChI=1S/C15H12BrFN2O2S/c1-21-10-5-2-4-9(17)14(10)15-19(13(20)8-22-15)12-7-3-6-11(16)18-12/h2-7,15H,8H2,1H3
InChIKeyLPQHIMLNUZVTAM-UHFFFAOYSA-N
MW383.24 g/mol
LogP3.77
Rot. Bonds3

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

3-(6-bromo-2-pyridinyl)-2-(2-fluoro-6-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 513682) has the molecular formula C15H12BrFN2O2S and a molecular weight of 383.24 g/mol. Its IUPAC name is 3-(6-bromo-2-pyridinyl)-2-(2-fluoro-6-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(6-bromo-2-pyridinyl)-2-(2-fluoro-6-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID513682
Molecular FormulaC15H12BrFN2O2S
Molecular Weight383.24 g/mol
Exact Mass381.98
IUPAC Name3-(6-bromo-2-pyridinyl)-2-(2-fluoro-6-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cccc(F)c1C1SCC(=O)N1c1cccc(Br)n1
InChIInChI=1S/C15H12BrFN2O2S/c1-21-10-5-2-4-9(17)14(10)15-19(13(20)8-22-15)12-7-3-6-11(16)18-12/h2-7,15H,8H2,1H3
InChIKeyLPQHIMLNUZVTAM-UHFFFAOYSA-N
XLogP3.77
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.24
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoro-6-methoxyphenyl)-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one
CID 513677
3-(6-bromo-2-pyridinyl)-2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 513683
2-(2-fluoro-6-methoxyphenyl)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
CID 87150934
2-(2,6-dimethoxyphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
CID 513696
2-(2-chloro-6-fluorophenyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
CID 3012196
3-[(2,5-difluorophenyl)methyl]-2-(2,6-dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3842250
2-(2,6-difluorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one
CID 3012187
2-(2,6-dichlorophenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
CID 71521936
3-[(2,6-difluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3388079
2-(3,5-dichloro-4-pyridinyl)-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one
CID 57390348
1-(2,6-difluorophenyl)-5-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
CID 45029293
2-[2-fluoro-6-(trifluoromethyl)phenyl]-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one
CID 44582934

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-2-pyridinyl)-2-(2-fluoro-6-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(6-bromo-2-pyridinyl)-2-(2-fluoro-6-methoxyphenyl)-1,3-thiazolidin-4-one (CID 513682) is 3-(6-bromo-2-pyridinyl)-2-(2-fluoro-6-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(6-bromo-2-pyridinyl)-2-(2-fluoro-6-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(6-bromo-2-pyridinyl)-2-(2-fluoro-6-methoxyphenyl)-1,3-thiazolidin-4-one is COc1cccc(F)c1C1SCC(=O)N1c1cccc(Br)n1.
What is the InChIKey of 3-(6-bromo-2-pyridinyl)-2-(2-fluoro-6-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is LPQHIMLNUZVTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O2S/c1-21-10-5-2-4-9(17)14(10)15-19(13(20)8-22-15)12-7-3-6-11(16)18-12/h2-7,15H,8H2,1H3.
What are the key properties of 3-(6-bromo-2-pyridinyl)-2-(2-fluoro-6-methoxyphenyl)-1,3-thiazolidin-4-one?
3-(6-bromo-2-pyridinyl)-2-(2-fluoro-6-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 383.24 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-2-pyridinyl)-2-(2-fluoro-6-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 513682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).