1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C13H18N2O2S — CID 63762899

IUPAC1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)N2C3CCC2CC(O)C3)cs1
InChIInChI=1S/C13H18N2O2S/c1-8-14-9(7-18-8)4-13(17)15-10-2-3-11(15)6-12(16)5-10/h7,10-12,16H,2-6H2,1H3
InChIKeyXLYBVLVHAUSPAJ-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.51
Rot. Bonds2

About 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 63762899) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID63762899
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)N2C3CCC2CC(O)C3)cs1
InChIInChI=1S/C13H18N2O2S/c1-8-14-9(7-18-8)4-13(17)15-10-2-3-11(15)6-12(16)5-10/h7,10-12,16H,2-6H2,1H3
InChIKeyXLYBVLVHAUSPAJ-UHFFFAOYSA-N
XLogP1.51
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 63762899) is 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1nc(CC(=O)N2C3CCC2CC(O)C3)cs1.
What is the InChIKey of 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is XLYBVLVHAUSPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-8-14-9(7-18-8)4-13(17)15-10-2-3-11(15)6-12(16)5-10/h7,10-12,16H,2-6H2,1H3.
What are the key properties of 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 266.37 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 63762899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).