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

C16H22FN2OS+ — CID 4097761

IUPAC2-(2-fluorophenyl)-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2F)N1CC[NH+]1CCCCC1
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/p+1
InChIKeyFGWXEXUSDQKKKR-UHFFFAOYSA-O
MW309.43 g/mol
LogP1.47
Rot. Bonds4

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

2-(2-fluorophenyl)-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 4097761) has the molecular formula C16H22FN2OS+ and a molecular weight of 309.43 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-4-one
PubChem CID4097761
Molecular FormulaC16H22FN2OS+
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name2-(2-fluorophenyl)-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2F)N1CC[NH+]1CCCCC1
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/p+1
InChIKeyFGWXEXUSDQKKKR-UHFFFAOYSA-O
XLogP1.47
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-(2-piperidin-1-ium-1-ylethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one
CID 6935354
(2R)-2-(3-nitrophenyl)-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-4-one
CID 6937476
2-(2-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 22332064
2-(2-fluorophenyl)-3-(2-hydroxypropyl)-1,3-thiazolidin-4-one
CID 24712043
2-(1,3-benzodioxol-5-yl)-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-4-one
CID 3692735
(2S)-2-(3,4-dimethoxyphenyl)-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-4-one
CID 6960848
N-[2-(dimethylamino)ethyl]-3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide
CID 24711912
(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-4-one
CID 6935348
(3R)-3-hydroxy-2-(2-pyrrolidin-1-ium-1-ylethyl)-3H-isoindol-1-one
CID 7315757
(2S)-3-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one
CID 6936035
3-(2-hydroxyethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 5008068
3-[(2,3-difluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one
CID 3854696

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-fluorophenyl)-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-4-one (CID 4097761) is 2-(2-fluorophenyl)-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-fluorophenyl)-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-fluorophenyl)-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccccc2F)N1CC[NH+]1CCCCC1.
What is the InChIKey of 2-(2-fluorophenyl)-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-4-one?
The InChIKey is FGWXEXUSDQKKKR-UHFFFAOYSA-O. 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/p+1.
What are the key properties of 2-(2-fluorophenyl)-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-4-one?
2-(2-fluorophenyl)-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-4-one has a molecular weight of 309.43 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4097761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).