2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-methyl-1,3-thiazole

C12H18N2S — CID 166199646

IUPAC2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-methyl-1,3-thiazole
SMILESCc1cnc(N2CC3CCCC(C3)C2)s1
InChIInChI=1S/C12H18N2S/c1-9-6-13-12(15-9)14-7-10-3-2-4-11(5-10)8-14/h6,10-11H,2-5,7-8H2,1H3
InChIKeyGEYPWSBIDRMUGE-UHFFFAOYSA-N
MW222.36 g/mol
LogP3.08
Rot. Bonds1

About 2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-methyl-1,3-thiazole

2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-methyl-1,3-thiazole (PubChem CID 166199646) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-methyl-1,3-thiazole
PubChem CID166199646
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-methyl-1,3-thiazole
SMILESCc1cnc(N2CC3CCCC(C3)C2)s1
InChIInChI=1S/C12H18N2S/c1-9-6-13-12(15-9)14-7-10-3-2-4-11(5-10)8-14/h6,10-11H,2-5,7-8H2,1H3
InChIKeyGEYPWSBIDRMUGE-UHFFFAOYSA-N
XLogP3.08
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-methyl-1,3-thiazole?
The IUPAC name of 2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-methyl-1,3-thiazole (CID 166199646) is 2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-methyl-1,3-thiazole?
The canonical SMILES for 2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-methyl-1,3-thiazole is Cc1cnc(N2CC3CCCC(C3)C2)s1.
What is the InChIKey of 2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-methyl-1,3-thiazole?
The InChIKey is GEYPWSBIDRMUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-9-6-13-12(15-9)14-7-10-3-2-4-11(5-10)8-14/h6,10-11H,2-5,7-8H2,1H3.
What are the key properties of 2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-methyl-1,3-thiazole?
2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-methyl-1,3-thiazole has a molecular weight of 222.36 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 166199646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).