8-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-8-azabicyclo[3.2.1]octan-3-ol

C11H15ClN2O2S — CID 80693117

IUPAC8-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOCc1sc(N2C3CCC2CC(O)C3)nc1Cl
InChIInChI=1S/C11H15ClN2O2S/c12-10-9(5-15)17-11(13-10)14-6-1-2-7(14)4-8(16)3-6/h6-8,15-16H,1-5H2
InChIKeyDUIDKAJGSCUQAS-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.78
Rot. Bonds2

About 8-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-8-azabicyclo[3.2.1]octan-3-ol

8-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 80693117) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 8-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID80693117
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name8-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOCc1sc(N2C3CCC2CC(O)C3)nc1Cl
InChIInChI=1S/C11H15ClN2O2S/c12-10-9(5-15)17-11(13-10)14-6-1-2-7(14)4-8(16)3-6/h6-8,15-16H,1-5H2
InChIKeyDUIDKAJGSCUQAS-UHFFFAOYSA-N
XLogP1.78
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-8-azabicyclo[3.2.1]octan-3-ol (CID 80693117) is 8-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-8-azabicyclo[3.2.1]octan-3-ol is OCc1sc(N2C3CCC2CC(O)C3)nc1Cl.
What is the InChIKey of 8-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is DUIDKAJGSCUQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c12-10-9(5-15)17-11(13-10)14-6-1-2-7(14)4-8(16)3-6/h6-8,15-16H,1-5H2.
What are the key properties of 8-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 274.77 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 80693117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).