3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one

C12H21N3O2S — CID 58847393

IUPAC3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one
SMILESCC(C)N1CCN(C(=O)CN2CCSC2=O)CC1
InChIInChI=1S/C12H21N3O2S/c1-10(2)13-3-5-14(6-4-13)11(16)9-15-7-8-18-12(15)17/h10H,3-9H2,1-2H3
InChIKeyWAHJBMFLHGNBHO-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.71
Rot. Bonds3

About 3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one

3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one (PubChem CID 58847393) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one
PubChem CID58847393
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one
SMILESCC(C)N1CCN(C(=O)CN2CCSC2=O)CC1
InChIInChI=1S/C12H21N3O2S/c1-10(2)13-3-5-14(6-4-13)11(16)9-15-7-8-18-12(15)17/h10H,3-9H2,1-2H3
InChIKeyWAHJBMFLHGNBHO-UHFFFAOYSA-N
XLogP0.71
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methyl-2-oxobutyl)-1,3-thiazolidin-2-one
CID 79395854
2-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide
CID 35807274
ethane;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 145315809
3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one
CID 18146014
3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-1,3-thiazolidin-2-one
CID 18104717
3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one
CID 119493471
(E)-but-2-enedioic acid;1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-2-one
CID 6449218
N-[(2S)-1-aminopropan-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride
CID 120504928
methyl 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 43410731
3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one;hydrochloride
CID 120807652
(Z)-but-2-enedioate;1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-2-one
CID 20841214
4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
CID 58450079

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one?
The IUPAC name of 3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one (CID 58847393) is 3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one?
The canonical SMILES for 3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one is CC(C)N1CCN(C(=O)CN2CCSC2=O)CC1.
What is the InChIKey of 3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one?
The InChIKey is WAHJBMFLHGNBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-10(2)13-3-5-14(6-4-13)11(16)9-15-7-8-18-12(15)17/h10H,3-9H2,1-2H3.
What are the key properties of 3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one?
3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one has a molecular weight of 271.39 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 58847393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).