6-bromo-N-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-[1,3]thiazolo[4,5-b]pyrazin-2-amine

C14H16BrN7S — CID 72709343

IUPAC6-bromo-N-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-[1,3]thiazolo[4,5-b]pyrazin-2-amine
SMILESBrc1cnc2nc(NC3=NCC4(CN5CCC4CC5)N3)sc2n1
InChIInChI=1S/C14H16BrN7S/c15-9-5-16-10-11(18-9)23-13(19-10)20-12-17-6-14(21-12)7-22-3-1-8(14)2-4-22/h5,8H,1-4,6-7H2,(H2,16,17,19,20,21)
InChIKeyZPFYDAWNVXOIMO-UHFFFAOYSA-N
MW394.30 g/mol
LogP1.68
Rot. Bonds1

About 6-bromo-N-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-[1,3]thiazolo[4,5-b]pyrazin-2-amine

6-bromo-N-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-[1,3]thiazolo[4,5-b]pyrazin-2-amine (PubChem CID 72709343) has the molecular formula C14H16BrN7S and a molecular weight of 394.30 g/mol. Its IUPAC name is 6-bromo-N-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-[1,3]thiazolo[4,5-b]pyrazin-2-amine.

Molecular Properties

Compound Name6-bromo-N-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-[1,3]thiazolo[4,5-b]pyrazin-2-amine
PubChem CID72709343
Molecular FormulaC14H16BrN7S
Molecular Weight394.30 g/mol
Exact Mass393.04
IUPAC Name6-bromo-N-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-[1,3]thiazolo[4,5-b]pyrazin-2-amine
SMILESBrc1cnc2nc(NC3=NCC4(CN5CCC4CC5)N3)sc2n1
InChIInChI=1S/C14H16BrN7S/c15-9-5-16-10-11(18-9)23-13(19-10)20-12-17-6-14(21-12)7-22-3-1-8(14)2-4-22/h5,8H,1-4,6-7H2,(H2,16,17,19,20,21)
InChIKeyZPFYDAWNVXOIMO-UHFFFAOYSA-N
XLogP1.68
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-bromo-N-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-[1,3]thiazolo[4,5-b]pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-[1,3]thiazolo[4,5-b]pyrazin-2-amine?
The IUPAC name of 6-bromo-N-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-[1,3]thiazolo[4,5-b]pyrazin-2-amine (CID 72709343) is 6-bromo-N-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-[1,3]thiazolo[4,5-b]pyrazin-2-amine.
What is the SMILES notation for 6-bromo-N-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-[1,3]thiazolo[4,5-b]pyrazin-2-amine?
The canonical SMILES for 6-bromo-N-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-[1,3]thiazolo[4,5-b]pyrazin-2-amine is Brc1cnc2nc(NC3=NCC4(CN5CCC4CC5)N3)sc2n1.
What is the InChIKey of 6-bromo-N-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-[1,3]thiazolo[4,5-b]pyrazin-2-amine?
The InChIKey is ZPFYDAWNVXOIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN7S/c15-9-5-16-10-11(18-9)23-13(19-10)20-12-17-6-14(21-12)7-22-3-1-8(14)2-4-22/h5,8H,1-4,6-7H2,(H2,16,17,19,20,21).
What are the key properties of 6-bromo-N-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-[1,3]thiazolo[4,5-b]pyrazin-2-amine?
6-bromo-N-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-[1,3]thiazolo[4,5-b]pyrazin-2-amine has a molecular weight of 394.30 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-[1,3]thiazolo[4,5-b]pyrazin-2-amine is sourced from PubChem (CID 72709343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).