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

C16H21FN2OS — CID 644867

IUPAC2-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2F)N1CCN1CCCCC1
InChIInChI=1S/C16H21FN2OS/c17-14-7-3-2-6-13(14)16-19(15(20)12-21-16)11-10-18-8-4-1-5-9-18/h2-3,6-7,16H,1,4-5,8-12H2
InChIKeyFGWXEXUSDQKKKR-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.89
Rot. Bonds4

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

2-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 644867) has the molecular formula C16H21FN2OS and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
PubChem CID644867
Molecular FormulaC16H21FN2OS
Molecular Weight308.42 g/mol
Exact Mass308.14
IUPAC Name2-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2F)N1CCN1CCCCC1
InChIInChI=1S/C16H21FN2OS/c17-14-7-3-2-6-13(14)16-19(15(20)12-21-16)11-10-18-8-4-1-5-9-18/h2-3,6-7,16H,1,4-5,8-12H2
InChIKeyFGWXEXUSDQKKKR-UHFFFAOYSA-N
XLogP2.89
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-(3-methylphenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 49860523
1-(4-benzylpiperazin-1-yl)-5-[(3R)-dithiolan-3-yl]pentan-1-one
CID 96558420

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one (CID 644867) is 2-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccccc2F)N1CCN1CCCCC1.
What is the InChIKey of 2-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one?
The InChIKey is FGWXEXUSDQKKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2OS/c17-14-7-3-2-6-13(14)16-19(15(20)12-21-16)11-10-18-8-4-1-5-9-18/h2-3,6-7,16H,1,4-5,8-12H2.
What are the key properties of 2-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one?
2-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one has a molecular weight of 308.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 644867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).