3-benzyl-2-(4-fluorophenyl)-1,3-thiazolidin-4-one

C16H14FNOS — CID 5346645

IUPAC3-benzyl-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(F)cc2)N1Cc1ccccc1
InChIInChI=1S/C16H14FNOS/c17-14-8-6-13(7-9-14)16-18(15(19)11-20-16)10-12-4-2-1-3-5-12/h1-9,16H,10-11H2
InChIKeyZLVRFIXEINUVHY-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.60
Rot. Bonds3

About 3-benzyl-2-(4-fluorophenyl)-1,3-thiazolidin-4-one

3-benzyl-2-(4-fluorophenyl)-1,3-thiazolidin-4-one (PubChem CID 5346645) has the molecular formula C16H14FNOS and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-benzyl-2-(4-fluorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-benzyl-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
PubChem CID5346645
Molecular FormulaC16H14FNOS
Molecular Weight287.36 g/mol
Exact Mass287.08
IUPAC Name3-benzyl-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(F)cc2)N1Cc1ccccc1
InChIInChI=1S/C16H14FNOS/c17-14-8-6-13(7-9-14)16-18(15(19)11-20-16)10-12-4-2-1-3-5-12/h1-9,16H,10-11H2
InChIKeyZLVRFIXEINUVHY-UHFFFAOYSA-N
XLogP3.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-benzyl-2-(4-fluorophenyl)-1,3-thiazolidin-4-one (CID 5346645) is 3-benzyl-2-(4-fluorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-benzyl-2-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-benzyl-2-(4-fluorophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(F)cc2)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is ZLVRFIXEINUVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNOS/c17-14-8-6-13(7-9-14)16-18(15(19)11-20-16)10-12-4-2-1-3-5-12/h1-9,16H,10-11H2.
What are the key properties of 3-benzyl-2-(4-fluorophenyl)-1,3-thiazolidin-4-one?
3-benzyl-2-(4-fluorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 287.36 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(4-fluorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 5346645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).