8-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol

C11H16N2OS — CID 63770504

IUPAC8-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2Cc1cscn1
InChIInChI=1S/C11H16N2OS/c14-11-3-9-1-2-10(4-11)13(9)5-8-6-15-7-12-8/h6-7,9-11,14H,1-5H2
InChIKeyPZBPHPROOHXCHI-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.63
Rot. Bonds2

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

8-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63770504) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 8-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63770504
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name8-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2Cc1cscn1
InChIInChI=1S/C11H16N2OS/c14-11-3-9-1-2-10(4-11)13(9)5-8-6-15-7-12-8/h6-7,9-11,14H,1-5H2
InChIKeyPZBPHPROOHXCHI-UHFFFAOYSA-N
XLogP1.63
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-9-(1,3-thiazol-4-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55261433
4-[(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-1,3-thiazole
CID 134436783
8-[(6-amino-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 79234642
8-[(1-pentan-3-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 64777691
8-(1,2-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63768888
8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 55236052
4-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]thiomorpholine
CID 118790214
8-methyl-N-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63831483
1-[(6R)-6-hydroxy-4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 97121644
[4-(1,3-thiazol-4-ylmethyl)morpholin-2-yl]methanol
CID 79833284
8-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80607971
8-[[6-(methylamino)-3-pyridinyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63769443

Frequently Asked Questions

What is the IUPAC name of 8-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 63770504) is 8-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2Cc1cscn1.
What is the InChIKey of 8-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is PZBPHPROOHXCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c14-11-3-9-1-2-10(4-11)13(9)5-8-6-15-7-12-8/h6-7,9-11,14H,1-5H2.
What are the key properties of 8-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 224.33 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63770504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).