[(3S)-oxolan-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C13H18N2O2S — CID 95761172

IUPAC[(3S)-oxolan-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C([C@H]1CCOC1)N1CCCC[C@H]1c1nccs1
InChIInChI=1S/C13H18N2O2S/c16-13(10-4-7-17-9-10)15-6-2-1-3-11(15)12-14-5-8-18-12/h5,8,10-11H,1-4,6-7,9H2/t10-,11-/m0/s1
InChIKeyPVWYBZLTTXGFRE-QWRGUYRKSA-N
MW266.37 g/mol
LogP2.23
Rot. Bonds2

About [(3S)-oxolan-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

[(3S)-oxolan-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 95761172) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is [(3S)-oxolan-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(3S)-oxolan-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID95761172
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name[(3S)-oxolan-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C([C@H]1CCOC1)N1CCCC[C@H]1c1nccs1
InChIInChI=1S/C13H18N2O2S/c16-13(10-4-7-17-9-10)15-6-2-1-3-11(15)12-14-5-8-18-12/h5,8,10-11H,1-4,6-7,9H2/t10-,11-/m0/s1
InChIKeyPVWYBZLTTXGFRE-QWRGUYRKSA-N
XLogP2.23
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-oxolan-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [(3S)-oxolan-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 95761172) is [(3S)-oxolan-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(3S)-oxolan-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(3S)-oxolan-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is O=C([C@H]1CCOC1)N1CCCC[C@H]1c1nccs1.
What is the InChIKey of [(3S)-oxolan-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is PVWYBZLTTXGFRE-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H18N2O2S/c16-13(10-4-7-17-9-10)15-6-2-1-3-11(15)12-14-5-8-18-12/h5,8,10-11H,1-4,6-7,9H2/t10-,11-/m0/s1.
What are the key properties of [(3S)-oxolan-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
[(3S)-oxolan-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 266.37 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-oxolan-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95761172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).