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

C16H21Cl3N2OS — CID 2871934

IUPAC2-(3,4-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride
SMILESCl.O=C1CSC(c2ccc(Cl)c(Cl)c2)N1CCN1CCCCC1
InChIInChI=1S/C16H20Cl2N2OS.ClH/c17-13-5-4-12(10-14(13)18)16-20(15(21)11-22-16)9-8-19-6-2-1-3-7-19;/h4-5,10,16H,1-3,6-9,11H2;1H
InChIKeyMSXCQBBPVPWWDB-UHFFFAOYSA-N
MW395.78 g/mol
LogP4.48
Rot. Bonds4

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

2-(3,4-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride (PubChem CID 2871934) has the molecular formula C16H21Cl3N2OS and a molecular weight of 395.78 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride
PubChem CID2871934
Molecular FormulaC16H21Cl3N2OS
Molecular Weight395.78 g/mol
Exact Mass394.04
IUPAC Name2-(3,4-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride
SMILESCl.O=C1CSC(c2ccc(Cl)c(Cl)c2)N1CCN1CCCCC1
InChIInChI=1S/C16H20Cl2N2OS.ClH/c17-13-5-4-12(10-14(13)18)16-20(15(21)11-22-16)9-8-19-6-2-1-3-7-19;/h4-5,10,16H,1-3,6-9,11H2;1H
InChIKeyMSXCQBBPVPWWDB-UHFFFAOYSA-N
XLogP4.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.78
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride?
The IUPAC name of 2-(3,4-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride (CID 2871934) is 2-(3,4-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride?
The canonical SMILES for 2-(3,4-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride is Cl.O=C1CSC(c2ccc(Cl)c(Cl)c2)N1CCN1CCCCC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride?
The InChIKey is MSXCQBBPVPWWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2OS.ClH/c17-13-5-4-12(10-14(13)18)16-20(15(21)11-22-16)9-8-19-6-2-1-3-7-19;/h4-5,10,16H,1-3,6-9,11H2;1H.
What are the key properties of 2-(3,4-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride?
2-(3,4-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride has a molecular weight of 395.78 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride is sourced from PubChem (CID 2871934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).