N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine

C12H15N3OS — CID 115331744

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESc1cn2cc(CNC3CC4CCC3O4)nc2s1
InChIInChI=1S/C12H15N3OS/c1-2-11-10(5-9(1)16-11)13-6-8-7-15-3-4-17-12(15)14-8/h3-4,7,9-11,13H,1-2,5-6H2
InChIKeyZXGACWWKWFZIAH-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.81
Rot. Bonds3

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 115331744) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID115331744
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESc1cn2cc(CNC3CC4CCC3O4)nc2s1
InChIInChI=1S/C12H15N3OS/c1-2-11-10(5-9(1)16-11)13-6-8-7-15-3-4-17-12(15)14-8/h3-4,7,9-11,13H,1-2,5-6H2
InChIKeyZXGACWWKWFZIAH-UHFFFAOYSA-N
XLogP1.81
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 115331691
1-(3-chlorocyclobutyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 115334519
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111962171
N-[(5-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80710323
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-1-methylpyrrolidine-2,5-dione
CID 115331702
3-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclobutan-1-amine
CID 103921091
2-(2-bicyclo[2.2.1]heptanyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide
CID 134027755
1-cyclopropyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-2-amine
CID 81333671
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066
imidazo[2,1-b][1,3]thiazol-6-ylmethylazanium
CID 7062758
3-cyclopropyl-3-hydroxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidine-1-carboxamide
CID 154799179
1-(cyclopropylamino)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol
CID 115335079

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine (CID 115331744) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine is c1cn2cc(CNC3CC4CCC3O4)nc2s1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is ZXGACWWKWFZIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-2-11-10(5-9(1)16-11)13-6-8-7-15-3-4-17-12(15)14-8/h3-4,7,9-11,13H,1-2,5-6H2.
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 249.34 g/mol, XLogP of 1.81, 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)-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 115331744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).