3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one

C12H21N3O3S — CID 56802451

IUPAC3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESCC(O)CN1CCN(C(=O)CN2CSCC2=O)CC1
InChIInChI=1S/C12H21N3O3S/c1-10(16)6-13-2-4-14(5-3-13)11(17)7-15-9-19-8-12(15)18/h10,16H,2-9H2,1H3
InChIKeySIIUFWITGBZQNU-UHFFFAOYSA-N
MW287.39 g/mol
LogP-0.96
Rot. Bonds4

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

3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one (PubChem CID 56802451) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is 3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
PubChem CID56802451
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESCC(O)CN1CCN(C(=O)CN2CSCC2=O)CC1
InChIInChI=1S/C12H21N3O3S/c1-10(16)6-13-2-4-14(5-3-13)11(17)7-15-9-19-8-12(15)18/h10,16H,2-9H2,1H3
InChIKeySIIUFWITGBZQNU-UHFFFAOYSA-N
XLogP-0.96
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 128848247
4-[2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-1,4-benzothiazin-3-one
CID 95334203
3-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 9225895
1-[4-(2-hydroxypropyl)piperazin-1-yl]-2-methoxyethanone
CID 56802428
1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methoxyethanone
CID 95606801
3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 9273589
8-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 56809743
1-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]propan-2-ol
CID 4961557
(2S)-1-[4,7-bis[(2S)-2-hydroxypropyl]-1,4,7-triazonan-1-yl]propan-2-ol
CID 10935575
3-[2-[(3R,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 97096904
3-[2-oxo-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
CID 56797721
1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 75405301

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one (CID 56802451) is 3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one is CC(O)CN1CCN(C(=O)CN2CSCC2=O)CC1.
What is the InChIKey of 3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
The InChIKey is SIIUFWITGBZQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-10(16)6-13-2-4-14(5-3-13)11(17)7-15-9-19-8-12(15)18/h10,16H,2-9H2,1H3.
What are the key properties of 3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one has a molecular weight of 287.39 g/mol, XLogP of -0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 56802451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).