2-(8-azabicyclo[3.2.1]octan-3-ylsulfanyl)-4-methyl-1,3-thiazole;hydrochloride

C11H17ClN2S2 — CID 72716486

IUPAC2-(8-azabicyclo[3.2.1]octan-3-ylsulfanyl)-4-methyl-1,3-thiazole;hydrochloride
SMILESCc1csc(SC2CC3CCC(C2)N3)n1.Cl
InChIInChI=1S/C11H16N2S2.ClH/c1-7-6-14-11(12-7)15-10-4-8-2-3-9(5-10)13-8;/h6,8-10,13H,2-5H2,1H3;1H
InChIKeyJJECAZYXWNSOMQ-UHFFFAOYSA-N
MW276.86 g/mol
LogP3.25
Rot. Bonds2

About 2-(8-azabicyclo[3.2.1]octan-3-ylsulfanyl)-4-methyl-1,3-thiazole;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-ylsulfanyl)-4-methyl-1,3-thiazole;hydrochloride (PubChem CID 72716486) has the molecular formula C11H17ClN2S2 and a molecular weight of 276.86 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-ylsulfanyl)-4-methyl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-ylsulfanyl)-4-methyl-1,3-thiazole;hydrochloride
PubChem CID72716486
Molecular FormulaC11H17ClN2S2
Molecular Weight276.86 g/mol
Exact Mass276.05
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-ylsulfanyl)-4-methyl-1,3-thiazole;hydrochloride
SMILESCc1csc(SC2CC3CCC(C2)N3)n1.Cl
InChIInChI=1S/C11H16N2S2.ClH/c1-7-6-14-11(12-7)15-10-4-8-2-3-9(5-10)13-8;/h6,8-10,13H,2-5H2,1H3;1H
InChIKeyJJECAZYXWNSOMQ-UHFFFAOYSA-N
XLogP3.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.86
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-ylsulfanyl)-4-methyl-1,3-thiazole;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-ylsulfanyl)-4-methyl-1,3-thiazole;hydrochloride (CID 72716486) is 2-(8-azabicyclo[3.2.1]octan-3-ylsulfanyl)-4-methyl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-ylsulfanyl)-4-methyl-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-ylsulfanyl)-4-methyl-1,3-thiazole;hydrochloride is Cc1csc(SC2CC3CCC(C2)N3)n1.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-ylsulfanyl)-4-methyl-1,3-thiazole;hydrochloride?
The InChIKey is JJECAZYXWNSOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S2.ClH/c1-7-6-14-11(12-7)15-10-4-8-2-3-9(5-10)13-8;/h6,8-10,13H,2-5H2,1H3;1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-ylsulfanyl)-4-methyl-1,3-thiazole;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-ylsulfanyl)-4-methyl-1,3-thiazole;hydrochloride has a molecular weight of 276.86 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-ylsulfanyl)-4-methyl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 72716486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).