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

C16H22ClN3O3S — CID 120734352

IUPAC3-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)CN1CCSC1=O.Cl
InChIInChI=1S/C16H21N3O3S.ClH/c1-22-14-5-3-2-4-12(14)13-10-17-6-7-19(13)15(20)11-18-8-9-23-16(18)21;/h2-5,13,17H,6-11H2,1H3;1H
InChIKeyOZYXVALGQJYFRN-UHFFFAOYSA-N
MW371.89 g/mol
LogP1.76
Rot. Bonds4

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

3-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one;hydrochloride (PubChem CID 120734352) has the molecular formula C16H22ClN3O3S and a molecular weight of 371.89 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one;hydrochloride
PubChem CID120734352
Molecular FormulaC16H22ClN3O3S
Molecular Weight371.89 g/mol
Exact Mass371.11
IUPAC Name3-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)CN1CCSC1=O.Cl
InChIInChI=1S/C16H21N3O3S.ClH/c1-22-14-5-3-2-4-12(14)13-10-17-6-7-19(13)15(20)11-18-8-9-23-16(18)21;/h2-5,13,17H,6-11H2,1H3;1H
InChIKeyOZYXVALGQJYFRN-UHFFFAOYSA-N
XLogP1.76
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3H-isoindol-1-one;hydrochloride
CID 120735296
1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 120733310
1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione;hydrochloride
CID 120733120
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione;hydrochloride
CID 120735112
1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 120732791
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 120733673
2-(1-benzothiophen-3-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120733235
2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120733069
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 120735113
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-methylsulfonylbutan-1-one;hydrochloride
CID 120734946
(4R)-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one;hydrochloride
CID 120735018
2-cyclopentyloxy-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735006

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one;hydrochloride?
The IUPAC name of 3-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one;hydrochloride (CID 120734352) is 3-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one;hydrochloride.
What is the SMILES notation for 3-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one;hydrochloride?
The canonical SMILES for 3-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one;hydrochloride is COc1ccccc1C1CNCCN1C(=O)CN1CCSC1=O.Cl.
What is the InChIKey of 3-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one;hydrochloride?
The InChIKey is OZYXVALGQJYFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S.ClH/c1-22-14-5-3-2-4-12(14)13-10-17-6-7-19(13)15(20)11-18-8-9-23-16(18)21;/h2-5,13,17H,6-11H2,1H3;1H.
What are the key properties of 3-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one;hydrochloride?
3-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one;hydrochloride has a molecular weight of 371.89 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one;hydrochloride is sourced from PubChem (CID 120734352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).