1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone;hydrochloride

C18H26ClN3O2S — CID 120741358

IUPAC1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)C2CSCN2C(C)=O)cc1.Cl
InChIInChI=1S/C18H25N3O2S.ClH/c1-3-14-4-6-15(7-5-14)16-10-19-8-9-20(16)18(23)17-11-24-12-21(17)13(2)22;/h4-7,16-17,19H,3,8-12H2,1-2H3;1H
InChIKeyDLJZQOAJJNVJEN-UHFFFAOYSA-N
MW383.95 g/mol
LogP2.07
Rot. Bonds3

About 1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone;hydrochloride

1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone;hydrochloride (PubChem CID 120741358) has the molecular formula C18H26ClN3O2S and a molecular weight of 383.95 g/mol. Its IUPAC name is 1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone;hydrochloride
PubChem CID120741358
Molecular FormulaC18H26ClN3O2S
Molecular Weight383.95 g/mol
Exact Mass383.14
IUPAC Name1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)C2CSCN2C(C)=O)cc1.Cl
InChIInChI=1S/C18H25N3O2S.ClH/c1-3-14-4-6-15(7-5-14)16-10-19-8-9-20(16)18(23)17-11-24-12-21(17)13(2)22;/h4-7,16-17,19H,3,8-12H2,1-2H3;1H
InChIKeyDLJZQOAJJNVJEN-UHFFFAOYSA-N
XLogP2.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.95
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 120741677
[2-(4-ethylphenyl)piperazin-1-yl]-(thian-4-yl)methanone
CID 120741561
cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120740582
cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120741701
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one
CID 120737939
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 120741416
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 120741698
1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride
CID 120741414
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
CID 120740374
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120741572

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone;hydrochloride?
The IUPAC name of 1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone;hydrochloride (CID 120741358) is 1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone;hydrochloride is CCc1ccc(C2CNCCN2C(=O)C2CSCN2C(C)=O)cc1.Cl.
What is the InChIKey of 1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone;hydrochloride?
The InChIKey is DLJZQOAJJNVJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S.ClH/c1-3-14-4-6-15(7-5-14)16-10-19-8-9-20(16)18(23)17-11-24-12-21(17)13(2)22;/h4-7,16-17,19H,3,8-12H2,1-2H3;1H.
What are the key properties of 1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone;hydrochloride?
1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone;hydrochloride has a molecular weight of 383.95 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone;hydrochloride is sourced from PubChem (CID 120741358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).