3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione;hydrochloride

C15H19Cl2N3O2S — CID 86738729

IUPAC3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione;hydrochloride
SMILESCl.O=C1CSC(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H18ClN3O2S.ClH/c16-12-2-1-3-13(10-12)18-7-4-17(5-8-18)6-9-19-14(20)11-22-15(19)21;/h1-3,10H,4-9,11H2;1H
InChIKeyDQDFYYYFAAJPFP-UHFFFAOYSA-N
MW376.31 g/mol
LogP2.58
Rot. Bonds4

About 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione;hydrochloride

3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione;hydrochloride (PubChem CID 86738729) has the molecular formula C15H19Cl2N3O2S and a molecular weight of 376.31 g/mol. Its IUPAC name is 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione;hydrochloride
PubChem CID86738729
Molecular FormulaC15H19Cl2N3O2S
Molecular Weight376.31 g/mol
Exact Mass375.06
IUPAC Name3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione;hydrochloride
SMILESCl.O=C1CSC(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H18ClN3O2S.ClH/c16-12-2-1-3-13(10-12)18-7-4-17(5-8-18)6-9-19-14(20)11-22-15(19)21;/h1-3,10H,4-9,11H2;1H
InChIKeyDQDFYYYFAAJPFP-UHFFFAOYSA-N
XLogP2.58
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-cyclohexylpyrrolidine-2,5-dione
CID 25269976
2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl-methanidylazanium
CID 20756629
3-[4-(3-chlorophenyl)piperazin-1-yl]propanenitrile
CID 12726738
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-(2-methylphenyl)pyrrolidine-2,5-dione
CID 42631196
2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione
CID 3075503
4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-azatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
CID 14086477
5-amino-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride
CID 19027729
1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrrolidin-2-one
CID 3021275
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidine-2,5-dione
CID 10247408
2-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]benzo[de]isoquinoline-1,3-dione
CID 12965902
(2S)-1-acetyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide
CID 25271329

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione;hydrochloride?
The IUPAC name of 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione;hydrochloride (CID 86738729) is 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione;hydrochloride is Cl.O=C1CSC(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione;hydrochloride?
The InChIKey is DQDFYYYFAAJPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S.ClH/c16-12-2-1-3-13(10-12)18-7-4-17(5-8-18)6-9-19-14(20)11-22-15(19)21;/h1-3,10H,4-9,11H2;1H.
What are the key properties of 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione;hydrochloride?
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione;hydrochloride has a molecular weight of 376.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 86738729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).