8-methyl-N-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine

C12H19N3S — CID 63831483

IUPAC8-methyl-N-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(NCc1cscn1)C2
InChIInChI=1S/C12H19N3S/c1-15-11-2-3-12(15)5-9(4-11)13-6-10-7-16-8-14-10/h7-9,11-13H,2-6H2,1H3
InChIKeyLSTAMNNGUOWULS-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.86
Rot. Bonds3

About 8-methyl-N-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine

8-methyl-N-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 63831483) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 8-methyl-N-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-methyl-N-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID63831483
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name8-methyl-N-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(NCc1cscn1)C2
InChIInChI=1S/C12H19N3S/c1-15-11-2-3-12(15)5-9(4-11)13-6-10-7-16-8-14-10/h7-9,11-13H,2-6H2,1H3
InChIKeyLSTAMNNGUOWULS-UHFFFAOYSA-N
XLogP1.86
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-thiazol-4-ylmethyl)cyclooctanamine
CID 60687158
3-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
CID 115971767
2,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-dioxan-5-amine
CID 104588940
N-(1,3-thiazol-4-ylmethyl)thiolan-3-amine
CID 63830032
N-(1,3-thiazol-4-ylmethyl)-1,4-dithiepan-6-amine
CID 122557869
4-ethyl-N-(1,3-thiazol-4-ylmethyl)cycloheptan-1-amine
CID 65088346
3-(3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
CID 63831294
(3S)-1-[(1S)-1-phenylethyl]-N-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-amine
CID 95598751
(1R,5R)-8-methyl-N-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 129374539
N-methyl-9-(1,3-thiazol-4-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55261433
1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine
CID 63829174
(1R,5S)-N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 750316

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-methyl-N-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 63831483) is 8-methyl-N-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-methyl-N-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-methyl-N-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine is CN1C2CCC1CC(NCc1cscn1)C2.
What is the InChIKey of 8-methyl-N-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is LSTAMNNGUOWULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-15-11-2-3-12(15)5-9(4-11)13-6-10-7-16-8-14-10/h7-9,11-13H,2-6H2,1H3.
What are the key properties of 8-methyl-N-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-methyl-N-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 237.37 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 63831483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).