2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]oxyethanol

C11H18N2O2S — CID 112548978

IUPAC2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]oxyethanol
SMILESOCCOC1CCN(Cc2cncs2)CC1
InChIInChI=1S/C11H18N2O2S/c14-5-6-15-10-1-3-13(4-2-10)8-11-7-12-9-16-11/h7,9-10,14H,1-6,8H2
InChIKeyUPTROJIYWYHPQU-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.12
Rot. Bonds5

About 2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]oxyethanol

2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]oxyethanol (PubChem CID 112548978) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]oxyethanol
PubChem CID112548978
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]oxyethanol
SMILESOCCOC1CCN(Cc2cncs2)CC1
InChIInChI=1S/C11H18N2O2S/c14-5-6-15-10-1-3-13(4-2-10)8-11-7-12-9-16-11/h7,9-10,14H,1-6,8H2
InChIKeyUPTROJIYWYHPQU-UHFFFAOYSA-N
XLogP1.12
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]oxyethanol (CID 112548978) is 2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]oxyethanol is OCCOC1CCN(Cc2cncs2)CC1.
What is the InChIKey of 2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]oxyethanol?
The InChIKey is UPTROJIYWYHPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c14-5-6-15-10-1-3-13(4-2-10)8-11-7-12-9-16-11/h7,9-10,14H,1-6,8H2.
What are the key properties of 2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]oxyethanol?
2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]oxyethanol has a molecular weight of 242.34 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]oxyethanol is sourced from PubChem (CID 112548978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).