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

C16H22ClFN2OS — CID 2881472

IUPAC2-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride
SMILESCl.O=C1CSC(c2ccccc2F)N1CCN1CCCCC1
InChIInChI=1S/C16H21FN2OS.ClH/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;1H
InChIKeyOZAGABZGXRBQGF-UHFFFAOYSA-N
MW344.88 g/mol
LogP3.31
Rot. Bonds4

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

2-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride (PubChem CID 2881472) has the molecular formula C16H22ClFN2OS and a molecular weight of 344.88 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride
PubChem CID2881472
Molecular FormulaC16H22ClFN2OS
Molecular Weight344.88 g/mol
Exact Mass344.11
IUPAC Name2-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride
SMILESCl.O=C1CSC(c2ccccc2F)N1CCN1CCCCC1
InChIInChI=1S/C16H21FN2OS.ClH/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;1H
InChIKeyOZAGABZGXRBQGF-UHFFFAOYSA-N
XLogP3.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.88
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride?
The IUPAC name of 2-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride (CID 2881472) is 2-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride.
What is the SMILES notation for 2-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride?
The canonical SMILES for 2-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride is Cl.O=C1CSC(c2ccccc2F)N1CCN1CCCCC1.
What is the InChIKey of 2-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride?
The InChIKey is OZAGABZGXRBQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2OS.ClH/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;1H.
What are the key properties of 2-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride?
2-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride has a molecular weight of 344.88 g/mol, XLogP of 3.31, 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;hydrochloride is sourced from PubChem (CID 2881472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).