2-(4-fluorophenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one

C17H23FN2OS — CID 23798233

IUPAC2-(4-fluorophenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(F)cc2)N1CCCN1CCCCC1
InChIInChI=1S/C17H23FN2OS/c18-15-7-5-14(6-8-15)17-20(16(21)13-22-17)12-4-11-19-9-2-1-3-10-19/h5-8,17H,1-4,9-13H2
InChIKeyXRYRNTJREKGKBB-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.28
Rot. Bonds5

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

2-(4-fluorophenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one (PubChem CID 23798233) has the molecular formula C17H23FN2OS and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one
PubChem CID23798233
Molecular FormulaC17H23FN2OS
Molecular Weight322.45 g/mol
Exact Mass322.15
IUPAC Name2-(4-fluorophenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(F)cc2)N1CCCN1CCCCC1
InChIInChI=1S/C17H23FN2OS/c18-15-7-5-14(6-8-15)17-20(16(21)13-22-17)12-4-11-19-9-2-1-3-10-19/h5-8,17H,1-4,9-13H2
InChIKeyXRYRNTJREKGKBB-UHFFFAOYSA-N
XLogP3.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Phenylmethyl)-2-thioxo-4-thiazolidinone
CID 97673
3-Benzyl-2-phenylthiazolidin-4-one
CID 231889
2-(2-Fluorophenyl)-1,3-thiazolan-4-one
CID 2732088
3-Benzyl-5-methyl-2-phenyl-thiazolidin-4-one
CID 2839914
3-Benzyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 3470012
2-phenyl-3-(N,N-dimethylaminopropyl)-1,3-thiazolidin-4-one
CID 126623
3-Benzyl-1,3-thiazolidine-2,4-dione
CID 2788476
3-[3-(Dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 2872049
2-(2-Fluoro-phenyl)-3-(2-piperidin-1-yl-ethyl)-thiazolidin-4-one
CID 2881472
3-[3-(Dimethylamino)propyl]-2-(4-methylphenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 5341962
3-[3-(Dimethylamino)propyl]-2-(3-fluorophenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 49860519
3-[3-(Dimethylamino)propyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 49860520

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one (CID 23798233) is 2-(4-fluorophenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(F)cc2)N1CCCN1CCCCC1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one?
The InChIKey is XRYRNTJREKGKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2OS/c18-15-7-5-14(6-8-15)17-20(16(21)13-22-17)12-4-11-19-9-2-1-3-10-19/h5-8,17H,1-4,9-13H2.
What are the key properties of 2-(4-fluorophenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one?
2-(4-fluorophenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 322.45 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 23798233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).