1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1,3-thiazol-5-yl)ethanol

C11H15NO2S — CID 112642536

IUPAC1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1,3-thiazol-5-yl)ethanol
SMILESOC(Cc1cncs1)C1CC2CCC1O2
InChIInChI=1S/C11H15NO2S/c13-10(4-8-5-12-6-15-8)9-3-7-1-2-11(9)14-7/h5-7,9-11,13H,1-4H2
InChIKeyHCMHWHZWTVIGNY-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.61
Rot. Bonds3

About 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1,3-thiazol-5-yl)ethanol

1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1,3-thiazol-5-yl)ethanol (PubChem CID 112642536) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1,3-thiazol-5-yl)ethanol
PubChem CID112642536
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1,3-thiazol-5-yl)ethanol
SMILESOC(Cc1cncs1)C1CC2CCC1O2
InChIInChI=1S/C11H15NO2S/c13-10(4-8-5-12-6-15-8)9-3-7-1-2-11(9)14-7/h5-7,9-11,13H,1-4H2
InChIKeyHCMHWHZWTVIGNY-UHFFFAOYSA-N
XLogP1.61
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylcyclopentyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642567
1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642657
2-(1-cyclopentylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol
CID 64785484
[2-(2-methyl-1,3-thiazol-4-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine
CID 105221717
(2S)-2-hydroxy-3-(1,3-thiazol-5-yl)propanoic acid
CID 124595713
1-cyclopentyl-2-(1,3-thiazol-5-yl)ethanamine
CID 82399288
4-amino-1-(1,3-thiazol-5-yl)butan-2-ol
CID 82411793
1-cyclohexyl-1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-one
CID 103457418
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 79820523
[1-cyclopropyl-3-(1,3-thiazol-5-yl)propan-2-yl]hydrazine
CID 105254030
1-pyridin-4-yl-2-(1,3-thiazol-5-yl)ethanol
CID 112641839
1-(3-cyclopropylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642027

Frequently Asked Questions

What is the IUPAC name of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1,3-thiazol-5-yl)ethanol?
The IUPAC name of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1,3-thiazol-5-yl)ethanol (CID 112642536) is 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1,3-thiazol-5-yl)ethanol is OC(Cc1cncs1)C1CC2CCC1O2.
What is the InChIKey of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1,3-thiazol-5-yl)ethanol?
The InChIKey is HCMHWHZWTVIGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c13-10(4-8-5-12-6-15-8)9-3-7-1-2-11(9)14-7/h5-7,9-11,13H,1-4H2.
What are the key properties of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1,3-thiazol-5-yl)ethanol?
1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1,3-thiazol-5-yl)ethanol has a molecular weight of 225.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 112642536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).