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

C11H16N2OS — CID 130501372

IUPAC2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-ol
SMILESCN1C2CCC1CC(c1nc(O)cs1)C2
InChIInChI=1S/C11H16N2OS/c1-13-8-2-3-9(13)5-7(4-8)11-12-10(14)6-15-11/h6-9,14H,2-5H2,1H3
InChIKeyCEPRKKVABMMPGA-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.19
Rot. Bonds1

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

2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-ol (PubChem CID 130501372) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-ol
PubChem CID130501372
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-ol
SMILESCN1C2CCC1CC(c1nc(O)cs1)C2
InChIInChI=1S/C11H16N2OS/c1-13-8-2-3-9(13)5-7(4-8)11-12-10(14)6-15-11/h6-9,14H,2-5H2,1H3
InChIKeyCEPRKKVABMMPGA-UHFFFAOYSA-N
XLogP2.19
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-ol?
The IUPAC name of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-ol (CID 130501372) is 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-ol?
The canonical SMILES for 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-ol is CN1C2CCC1CC(c1nc(O)cs1)C2.
What is the InChIKey of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-ol?
The InChIKey is CEPRKKVABMMPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-13-8-2-3-9(13)5-7(4-8)11-12-10(14)6-15-11/h6-9,14H,2-5H2,1H3.
What are the key properties of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-ol?
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-ol has a molecular weight of 224.33 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-ol is sourced from PubChem (CID 130501372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).