2-(2,6-diazabicyclo[3.2.2]nonan-2-ylmethyl)-1,3-thiazole

C11H17N3S — CID 69378769

IUPAC2-(2,6-diazabicyclo[3.2.2]nonan-2-ylmethyl)-1,3-thiazole
SMILESc1csc(CN2CCC3CCC2CN3)n1
InChIInChI=1S/C11H17N3S/c1-2-10-7-13-9(1)3-5-14(10)8-11-12-4-6-15-11/h4,6,9-10,13H,1-3,5,7-8H2
InChIKeyWQRLWRCQYUMYKL-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.47
Rot. Bonds2

About 2-(2,6-diazabicyclo[3.2.2]nonan-2-ylmethyl)-1,3-thiazole

2-(2,6-diazabicyclo[3.2.2]nonan-2-ylmethyl)-1,3-thiazole (PubChem CID 69378769) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(2,6-diazabicyclo[3.2.2]nonan-2-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,6-diazabicyclo[3.2.2]nonan-2-ylmethyl)-1,3-thiazole
PubChem CID69378769
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name2-(2,6-diazabicyclo[3.2.2]nonan-2-ylmethyl)-1,3-thiazole
SMILESc1csc(CN2CCC3CCC2CN3)n1
InChIInChI=1S/C11H17N3S/c1-2-10-7-13-9(1)3-5-14(10)8-11-12-4-6-15-11/h4,6,9-10,13H,1-3,5,7-8H2
InChIKeyWQRLWRCQYUMYKL-UHFFFAOYSA-N
XLogP1.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-piperidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 175660162
2-[(2,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 64946674
2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 99947605
2-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 64948017
2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 77081994
2-[[(3aS,6aR)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]methyl]-1,3-thiazole
CID 97459042
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120911940
(2S,3R)-2-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol
CID 97408592
2-[[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124641351
2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120769103
N,N-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 141061386
2-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124754983

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diazabicyclo[3.2.2]nonan-2-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-(2,6-diazabicyclo[3.2.2]nonan-2-ylmethyl)-1,3-thiazole (CID 69378769) is 2-(2,6-diazabicyclo[3.2.2]nonan-2-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-(2,6-diazabicyclo[3.2.2]nonan-2-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-(2,6-diazabicyclo[3.2.2]nonan-2-ylmethyl)-1,3-thiazole is c1csc(CN2CCC3CCC2CN3)n1.
What is the InChIKey of 2-(2,6-diazabicyclo[3.2.2]nonan-2-ylmethyl)-1,3-thiazole?
The InChIKey is WQRLWRCQYUMYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-2-10-7-13-9(1)3-5-14(10)8-11-12-4-6-15-11/h4,6,9-10,13H,1-3,5,7-8H2.
What are the key properties of 2-(2,6-diazabicyclo[3.2.2]nonan-2-ylmethyl)-1,3-thiazole?
2-(2,6-diazabicyclo[3.2.2]nonan-2-ylmethyl)-1,3-thiazole has a molecular weight of 223.34 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diazabicyclo[3.2.2]nonan-2-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 69378769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).