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

C15H9BrF3NOS — CID 130385863

IUPAC3-(4-bromo-2,6-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(F)cc2)N1c1c(F)cc(Br)cc1F
InChIInChI=1S/C15H9BrF3NOS/c16-9-5-11(18)14(12(19)6-9)20-13(21)7-22-15(20)8-1-3-10(17)4-2-8/h1-6,15H,7H2
InChIKeyFINNZRLXOHOECV-UHFFFAOYSA-N
MW388.21 g/mol
LogP4.64
Rot. Bonds2

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

3-(4-bromo-2,6-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one (PubChem CID 130385863) has the molecular formula C15H9BrF3NOS and a molecular weight of 388.21 g/mol. Its IUPAC name is 3-(4-bromo-2,6-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-bromo-2,6-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
PubChem CID130385863
Molecular FormulaC15H9BrF3NOS
Molecular Weight388.21 g/mol
Exact Mass386.95
IUPAC Name3-(4-bromo-2,6-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(F)cc2)N1c1c(F)cc(Br)cc1F
InChIInChI=1S/C15H9BrF3NOS/c16-9-5-11(18)14(12(19)6-9)20-13(21)7-22-15(20)8-1-3-10(17)4-2-8/h1-6,15H,7H2
InChIKeyFINNZRLXOHOECV-UHFFFAOYSA-N
XLogP4.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2,6-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-bromo-2,6-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one (CID 130385863) is 3-(4-bromo-2,6-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-bromo-2,6-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-bromo-2,6-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(F)cc2)N1c1c(F)cc(Br)cc1F.
What is the InChIKey of 3-(4-bromo-2,6-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is FINNZRLXOHOECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF3NOS/c16-9-5-11(18)14(12(19)6-9)20-13(21)7-22-15(20)8-1-3-10(17)4-2-8/h1-6,15H,7H2.
What are the key properties of 3-(4-bromo-2,6-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one?
3-(4-bromo-2,6-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 388.21 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2,6-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 130385863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).