1-(2-azabicyclo[2.1.1]hexan-5-yl)-1-(1,2-thiazol-5-yl)ethanol

C10H14N2OS — CID 130855945

IUPAC1-(2-azabicyclo[2.1.1]hexan-5-yl)-1-(1,2-thiazol-5-yl)ethanol
SMILESCC(O)(c1ccns1)C1C2CNC1C2
InChIInChI=1S/C10H14N2OS/c1-10(13,8-2-3-12-14-8)9-6-4-7(9)11-5-6/h2-3,6-7,9,11,13H,4-5H2,1H3
InChIKeyWOGGZUFTXLVSLW-UHFFFAOYSA-N
MW210.30 g/mol
LogP0.96
Rot. Bonds2

About 1-(2-azabicyclo[2.1.1]hexan-5-yl)-1-(1,2-thiazol-5-yl)ethanol

1-(2-azabicyclo[2.1.1]hexan-5-yl)-1-(1,2-thiazol-5-yl)ethanol (PubChem CID 130855945) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-(2-azabicyclo[2.1.1]hexan-5-yl)-1-(1,2-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(2-azabicyclo[2.1.1]hexan-5-yl)-1-(1,2-thiazol-5-yl)ethanol
PubChem CID130855945
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name1-(2-azabicyclo[2.1.1]hexan-5-yl)-1-(1,2-thiazol-5-yl)ethanol
SMILESCC(O)(c1ccns1)C1C2CNC1C2
InChIInChI=1S/C10H14N2OS/c1-10(13,8-2-3-12-14-8)9-6-4-7(9)11-5-6/h2-3,6-7,9,11,13H,4-5H2,1H3
InChIKeyWOGGZUFTXLVSLW-UHFFFAOYSA-N
XLogP0.96
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Piperidin-3-yl-1-(1,2-thiazol-5-yl)ethanol
CID 130914163
5-Isothiazolemethanol, I+/--methyl-I+/--(2-pyrrolidinylmethyl)-
CID 130975146
1-(1,2-Thiazol-5-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 130986278
3-(1,2-Thiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 131015164

Frequently Asked Questions

What is the IUPAC name of 1-(2-azabicyclo[2.1.1]hexan-5-yl)-1-(1,2-thiazol-5-yl)ethanol?
The IUPAC name of 1-(2-azabicyclo[2.1.1]hexan-5-yl)-1-(1,2-thiazol-5-yl)ethanol (CID 130855945) is 1-(2-azabicyclo[2.1.1]hexan-5-yl)-1-(1,2-thiazol-5-yl)ethanol.
What is the SMILES notation for 1-(2-azabicyclo[2.1.1]hexan-5-yl)-1-(1,2-thiazol-5-yl)ethanol?
The canonical SMILES for 1-(2-azabicyclo[2.1.1]hexan-5-yl)-1-(1,2-thiazol-5-yl)ethanol is CC(O)(c1ccns1)C1C2CNC1C2.
What is the InChIKey of 1-(2-azabicyclo[2.1.1]hexan-5-yl)-1-(1,2-thiazol-5-yl)ethanol?
The InChIKey is WOGGZUFTXLVSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-10(13,8-2-3-12-14-8)9-6-4-7(9)11-5-6/h2-3,6-7,9,11,13H,4-5H2,1H3.
What are the key properties of 1-(2-azabicyclo[2.1.1]hexan-5-yl)-1-(1,2-thiazol-5-yl)ethanol?
1-(2-azabicyclo[2.1.1]hexan-5-yl)-1-(1,2-thiazol-5-yl)ethanol has a molecular weight of 210.30 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azabicyclo[2.1.1]hexan-5-yl)-1-(1,2-thiazol-5-yl)ethanol is sourced from PubChem (CID 130855945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).