[2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol

C12H20N2O2S — CID 55117381

IUPAC[2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol
SMILESCCOC1CCN(c2nc(C)c(CO)s2)CC1
InChIInChI=1S/C12H20N2O2S/c1-3-16-10-4-6-14(7-5-10)12-13-9(2)11(8-15)17-12/h10,15H,3-8H2,1-2H3
InChIKeyKBZARGIUHWKQIY-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.95
Rot. Bonds4

About [2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol

[2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol (PubChem CID 55117381) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is [2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol
PubChem CID55117381
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name[2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol
SMILESCCOC1CCN(c2nc(C)c(CO)s2)CC1
InChIInChI=1S/C12H20N2O2S/c1-3-16-10-4-6-14(7-5-10)12-13-9(2)11(8-15)17-12/h10,15H,3-8H2,1-2H3
InChIKeyKBZARGIUHWKQIY-UHFFFAOYSA-N
XLogP1.95
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol (CID 55117381) is [2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol is CCOC1CCN(c2nc(C)c(CO)s2)CC1.
What is the InChIKey of [2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol?
The InChIKey is KBZARGIUHWKQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-3-16-10-4-6-14(7-5-10)12-13-9(2)11(8-15)17-12/h10,15H,3-8H2,1-2H3.
What are the key properties of [2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol?
[2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol has a molecular weight of 256.37 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 55117381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).