3-[2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-thiazolidin-4-one

C13H18N4O2S — CID 95281683

IUPAC3-[2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1CC(=O)N1CCC[C@H](n2cccn2)C1
InChIInChI=1S/C13H18N4O2S/c18-12(8-16-10-20-9-13(16)19)15-5-1-3-11(7-15)17-6-2-4-14-17/h2,4,6,11H,1,3,5,7-10H2/t11-/m0/s1
InChIKeyKWHPVTRJJWYCCG-NSHDSACASA-N
MW294.38 g/mol
LogP0.58
Rot. Bonds3

About 3-[2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-thiazolidin-4-one

3-[2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-thiazolidin-4-one (PubChem CID 95281683) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-[2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
PubChem CID95281683
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name3-[2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1CC(=O)N1CCC[C@H](n2cccn2)C1
InChIInChI=1S/C13H18N4O2S/c18-12(8-16-10-20-9-13(16)19)15-5-1-3-11(7-15)17-6-2-4-14-17/h2,4,6,11H,1,3,5,7-10H2/t11-/m0/s1
InChIKeyKWHPVTRJJWYCCG-NSHDSACASA-N
XLogP0.58
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-thiazolidin-4-one with MolForge

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Related Compounds

5,5-dimethyl-3-[2-oxo-2-(3-pyrazol-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 56823353
1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylic acid
CID 43170988
(4S)-1-(cyclopropylmethyl)-4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95158276
(4R)-1-(cyclopropylmethyl)-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95158273
3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 128848247
2-(5-methylthiophen-2-yl)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethanone
CID 95273424
3-[2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 42907207
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethanone
CID 95158590
methyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylate
CID 78919114
1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95160540
(3S)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-3-pyrrol-1-ylbutan-1-one
CID 95158097
3-[2-oxo-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
CID 95347001

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-thiazolidin-4-one (CID 95281683) is 3-[2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-thiazolidin-4-one is O=C1CSCN1CC(=O)N1CCC[C@H](n2cccn2)C1.
What is the InChIKey of 3-[2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-thiazolidin-4-one?
The InChIKey is KWHPVTRJJWYCCG-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N4O2S/c18-12(8-16-10-20-9-13(16)19)15-5-1-3-11(7-15)17-6-2-4-14-17/h2,4,6,11H,1,3,5,7-10H2/t11-/m0/s1.
What are the key properties of 3-[2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-thiazolidin-4-one?
3-[2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-thiazolidin-4-one has a molecular weight of 294.38 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 95281683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).