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

C16H21ClN2OS — CID 2881531

IUPAC2-(4-chlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Cl)cc2)N1CCN1CCCCC1
InChIInChI=1S/C16H21ClN2OS/c17-14-6-4-13(5-7-14)16-19(15(20)12-21-16)11-10-18-8-2-1-3-9-18/h4-7,16H,1-3,8-12H2
InChIKeyNSTHRLYHVLODBU-UHFFFAOYSA-N
MW324.88 g/mol
LogP3.40
Rot. Bonds4

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

2-(4-chlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 2881531) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
PubChem CID2881531
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC Name2-(4-chlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Cl)cc2)N1CCN1CCCCC1
InChIInChI=1S/C16H21ClN2OS/c17-14-6-4-13(5-7-14)16-19(15(20)12-21-16)11-10-18-8-2-1-3-9-18/h4-7,16H,1-3,8-12H2
InChIKeyNSTHRLYHVLODBU-UHFFFAOYSA-N
XLogP3.40
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one (CID 2881531) is 2-(4-chlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(Cl)cc2)N1CCN1CCCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one?
The InChIKey is NSTHRLYHVLODBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2OS/c17-14-6-4-13(5-7-14)16-19(15(20)12-21-16)11-10-18-8-2-1-3-9-18/h4-7,16H,1-3,8-12H2.
What are the key properties of 2-(4-chlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one?
2-(4-chlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one has a molecular weight of 324.88 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2881531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).