2-(3-bromo-4-fluorophenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one

C16H14BrFN2OS — CID 10339790

IUPAC2-(3-bromo-4-fluorophenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(F)c(Br)c2)N1CCc1cccnc1
InChIInChI=1S/C16H14BrFN2OS/c17-13-8-12(3-4-14(13)18)16-20(15(21)10-22-16)7-5-11-2-1-6-19-9-11/h1-4,6,8-9,16H,5,7,10H2
InChIKeyLSZBFAWZPSJMJV-UHFFFAOYSA-N
MW381.27 g/mol
LogP3.80
Rot. Bonds4

About 2-(3-bromo-4-fluorophenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one

2-(3-bromo-4-fluorophenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 10339790) has the molecular formula C16H14BrFN2OS and a molecular weight of 381.27 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
PubChem CID10339790
Molecular FormulaC16H14BrFN2OS
Molecular Weight381.27 g/mol
Exact Mass380.00
IUPAC Name2-(3-bromo-4-fluorophenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(F)c(Br)c2)N1CCc1cccnc1
InChIInChI=1S/C16H14BrFN2OS/c17-13-8-12(3-4-14(13)18)16-20(15(21)10-22-16)7-5-11-2-1-6-19-9-11/h1-4,6,8-9,16H,5,7,10H2
InChIKeyLSZBFAWZPSJMJV-UHFFFAOYSA-N
XLogP3.80
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one (CID 10339790) is 2-(3-bromo-4-fluorophenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(F)c(Br)c2)N1CCc1cccnc1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one?
The InChIKey is LSZBFAWZPSJMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2OS/c17-13-8-12(3-4-14(13)18)16-20(15(21)10-22-16)7-5-11-2-1-6-19-9-11/h1-4,6,8-9,16H,5,7,10H2.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one?
2-(3-bromo-4-fluorophenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one has a molecular weight of 381.27 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 10339790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).