2-(2,6-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one

C16H20Cl2N2OS — CID 71696996

IUPAC2-(2,6-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(Cl)cccc2Cl)N1CCN1CCCCC1
InChIInChI=1S/C16H20Cl2N2OS/c17-12-5-4-6-13(18)15(12)16-20(14(21)11-22-16)10-9-19-7-2-1-3-8-19/h4-6,16H,1-3,7-11H2
InChIKeyNAAUCTMXPMHSCE-UHFFFAOYSA-N
MW359.32 g/mol
LogP4.05
Rot. Bonds4

About 2-(2,6-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one

2-(2,6-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 71696996) has the molecular formula C16H20Cl2N2OS and a molecular weight of 359.32 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
PubChem CID71696996
Molecular FormulaC16H20Cl2N2OS
Molecular Weight359.32 g/mol
Exact Mass358.07
IUPAC Name2-(2,6-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(Cl)cccc2Cl)N1CCN1CCCCC1
InChIInChI=1S/C16H20Cl2N2OS/c17-12-5-4-6-13(18)15(12)16-20(14(21)11-22-16)10-9-19-7-2-1-3-8-19/h4-6,16H,1-3,7-11H2
InChIKeyNAAUCTMXPMHSCE-UHFFFAOYSA-N
XLogP4.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.32
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one (CID 71696996) is 2-(2,6-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one is O=C1CSC(c2c(Cl)cccc2Cl)N1CCN1CCCCC1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one?
The InChIKey is NAAUCTMXPMHSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2OS/c17-12-5-4-6-13(18)15(12)16-20(14(21)11-22-16)10-9-19-7-2-1-3-8-19/h4-6,16H,1-3,7-11H2.
What are the key properties of 2-(2,6-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one?
2-(2,6-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one has a molecular weight of 359.32 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 71696996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).