N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

C11H19N3S — CID 43439955

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NC2CN3CCC2CC3)S1
InChIInChI=1S/C11H19N3S/c1-8-6-12-11(15-8)13-10-7-14-4-2-9(10)3-5-14/h8-10H,2-7H2,1H3,(H,12,13)
InChIKeyZDGYSXWMXJQQBG-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.16
Rot. Bonds1

About N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43439955) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43439955
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NC2CN3CCC2CC3)S1
InChIInChI=1S/C11H19N3S/c1-8-6-12-11(15-8)13-10-7-14-4-2-9(10)3-5-14/h8-10H,2-7H2,1H3,(H,12,13)
InChIKeyZDGYSXWMXJQQBG-UHFFFAOYSA-N
XLogP1.16
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 43439955) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is CC1CN=C(NC2CN3CCC2CC3)S1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ZDGYSXWMXJQQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-8-6-12-11(15-8)13-10-7-14-4-2-9(10)3-5-14/h8-10H,2-7H2,1H3,(H,12,13).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 225.36 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43439955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).