N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

C15H22N4S — CID 115331691

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCN1C2CCCC1CC(NCc1cn3ccsc3n1)C2
InChIInChI=1S/C15H22N4S/c1-18-13-3-2-4-14(18)8-11(7-13)16-9-12-10-19-5-6-20-15(19)17-12/h5-6,10-11,13-14,16H,2-4,7-9H2,1H3
InChIKeyFEMXVWVIQPQAMG-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.50
Rot. Bonds3

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 115331691) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID115331691
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCN1C2CCCC1CC(NCc1cn3ccsc3n1)C2
InChIInChI=1S/C15H22N4S/c1-18-13-3-2-4-14(18)8-11(7-13)16-9-12-10-19-5-6-20-15(19)17-12/h5-6,10-11,13-14,16H,2-4,7-9H2,1H3
InChIKeyFEMXVWVIQPQAMG-UHFFFAOYSA-N
XLogP2.50
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]hydrazine
CID 105265716
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-1-methylpyrrolidine-2,5-dione
CID 115331702
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbutan-2-amine
CID 81334513
9-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471994
1-cyclopropyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-2-amine
CID 81333671
N-(4-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylbutyl)cyclopropanamine
CID 113289404
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 115331744
1-(3-ethylcyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 115333760
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 167779685
1-(cyclopropylamino)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol
CID 115335079
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 115334326
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpiperazin-1-amine
CID 83021672

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 115331691) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is CN1C2CCCC1CC(NCc1cn3ccsc3n1)C2.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is FEMXVWVIQPQAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-18-13-3-2-4-14(18)8-11(7-13)16-9-12-10-19-5-6-20-15(19)17-12/h5-6,10-11,13-14,16H,2-4,7-9H2,1H3.
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 290.44 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 115331691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).