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

C14H20N4O2S — CID 95347001

IUPAC3-[2-oxo-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1CC(=O)N1CCCC[C@H]1Cn1cccn1
InChIInChI=1S/C14H20N4O2S/c19-13(9-16-11-21-10-14(16)20)18-7-2-1-4-12(18)8-17-6-3-5-15-17/h3,5-6,12H,1-2,4,7-11H2/t12-/m0/s1
InChIKeyJWWIDJQCIGFRQJ-LBPRGKRZSA-N
MW308.41 g/mol
LogP0.80
Rot. Bonds4

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

3-[2-oxo-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one (PubChem CID 95347001) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 3-[2-oxo-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-oxo-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
PubChem CID95347001
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name3-[2-oxo-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1CC(=O)N1CCCC[C@H]1Cn1cccn1
InChIInChI=1S/C14H20N4O2S/c19-13(9-16-11-21-10-14(16)20)18-7-2-1-4-12(18)8-17-6-3-5-15-17/h3,5-6,12H,1-2,4,7-11H2/t12-/m0/s1
InChIKeyJWWIDJQCIGFRQJ-LBPRGKRZSA-N
XLogP0.80
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 79028449
(4S)-1-(cyclopropylmethyl)-4-[(2R)-2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95353523
methyl 2-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-2-yl]acetate
CID 61010949
(4S)-1-methyl-4-[(2R)-2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]piperidin-2-one
CID 95354134
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 95348225
2-methylsulfanyl-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779161
3-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 62468958
3-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 56779158
2-cyclopentylsulfonyl-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 56802310
2-[cyclopropyl(methyl)amino]-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 95607603
cyclobutyl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 73440121
(4S)-1-cyclopropyl-4-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95603675

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-oxo-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one (CID 95347001) is 3-[2-oxo-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-oxo-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-oxo-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one is O=C1CSCN1CC(=O)N1CCCC[C@H]1Cn1cccn1.
What is the InChIKey of 3-[2-oxo-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one?
The InChIKey is JWWIDJQCIGFRQJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N4O2S/c19-13(9-16-11-21-10-14(16)20)18-7-2-1-4-12(18)8-17-6-3-5-15-17/h3,5-6,12H,1-2,4,7-11H2/t12-/m0/s1.
What are the key properties of 3-[2-oxo-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one?
3-[2-oxo-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one has a molecular weight of 308.41 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 95347001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).