3-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride

C15H19Cl2N3O2S — CID 120803142

IUPAC3-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride
SMILESCl.O=C1CSCN1CC(=O)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C15H18ClN3O2S.ClH/c16-12-3-1-2-11(6-12)13-7-17-4-5-19(13)14(20)8-18-10-22-9-15(18)21;/h1-3,6,13,17H,4-5,7-10H2;1H
InChIKeyVTRTYEQNVNCQBP-UHFFFAOYSA-N
MW376.31 g/mol
LogP1.77
Rot. Bonds3

About 3-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride

3-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride (PubChem CID 120803142) has the molecular formula C15H19Cl2N3O2S and a molecular weight of 376.31 g/mol. Its IUPAC name is 3-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride
PubChem CID120803142
Molecular FormulaC15H19Cl2N3O2S
Molecular Weight376.31 g/mol
Exact Mass375.06
IUPAC Name3-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride
SMILESCl.O=C1CSCN1CC(=O)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C15H18ClN3O2S.ClH/c16-12-3-1-2-11(6-12)13-7-17-4-5-19(13)14(20)8-18-10-22-9-15(18)21;/h1-3,6,13,17H,4-5,7-10H2;1H
InChIKeyVTRTYEQNVNCQBP-UHFFFAOYSA-N
XLogP1.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 120802381
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride
CID 120803430
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4,4-trifluorobutan-1-one;hydrochloride
CID 120802347
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120803593
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 120802984
2-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione;hydrochloride
CID 120802401
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)ethanone;hydrochloride
CID 120802601
2-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione
CID 120802910
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride
CID 120802359
[2-(3-chlorophenyl)piperazin-1-yl]-(1,4-dithian-2-yl)methanone;hydrochloride
CID 120803118
2-(4-bromopyrazol-1-yl)-1-[2-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 120802292
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 120802446

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride?
The IUPAC name of 3-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride (CID 120803142) is 3-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride.
What is the SMILES notation for 3-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride?
The canonical SMILES for 3-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride is Cl.O=C1CSCN1CC(=O)N1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of 3-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride?
The InChIKey is VTRTYEQNVNCQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S.ClH/c16-12-3-1-2-11(6-12)13-7-17-4-5-19(13)14(20)8-18-10-22-9-15(18)21;/h1-3,6,13,17H,4-5,7-10H2;1H.
What are the key properties of 3-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride?
3-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride has a molecular weight of 376.31 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride is sourced from PubChem (CID 120803142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).