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

C13H18N2O2S — CID 86768293

IUPACoxolan-3-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCOC1)N1CCCC(c2nccs2)C1
InChIInChI=1S/C13H18N2O2S/c16-13(11-3-6-17-9-11)15-5-1-2-10(8-15)12-14-4-7-18-12/h4,7,10-11H,1-3,5-6,8-9H2
InChIKeyVHNUKCCFDZHRLC-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.89
Rot. Bonds2

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

oxolan-3-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 86768293) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is oxolan-3-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-3-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID86768293
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Nameoxolan-3-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCOC1)N1CCCC(c2nccs2)C1
InChIInChI=1S/C13H18N2O2S/c16-13(11-3-6-17-9-11)15-5-1-2-10(8-15)12-14-4-7-18-12/h4,7,10-11H,1-3,5-6,8-9H2
InChIKeyVHNUKCCFDZHRLC-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of oxolan-3-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 86768293) is oxolan-3-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for oxolan-3-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for oxolan-3-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is O=C(C1CCOC1)N1CCCC(c2nccs2)C1.
What is the InChIKey of oxolan-3-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is VHNUKCCFDZHRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c16-13(11-3-6-17-9-11)15-5-1-2-10(8-15)12-14-4-7-18-12/h4,7,10-11H,1-3,5-6,8-9H2.
What are the key properties of oxolan-3-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
oxolan-3-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 266.37 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 86768293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).