N-methyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride

C13H19ClF3N3S — CID 120836460

IUPACN-methyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
SMILESCN(Cc1ncc(C(F)(F)F)s1)C1CC2CCC(C1)N2.Cl
InChIInChI=1S/C13H18F3N3S.ClH/c1-19(10-4-8-2-3-9(5-10)18-8)7-12-17-6-11(20-12)13(14,15)16;/h6,8-10,18H,2-5,7H2,1H3;1H
InChIKeyHNQFGGJSKKWFDE-UHFFFAOYSA-N
MW341.83 g/mol
LogP3.30
Rot. Bonds3

About N-methyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride

N-methyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride (PubChem CID 120836460) has the molecular formula C13H19ClF3N3S and a molecular weight of 341.83 g/mol. Its IUPAC name is N-methyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
PubChem CID120836460
Molecular FormulaC13H19ClF3N3S
Molecular Weight341.83 g/mol
Exact Mass341.09
IUPAC NameN-methyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
SMILESCN(Cc1ncc(C(F)(F)F)s1)C1CC2CCC(C1)N2.Cl
InChIInChI=1S/C13H18F3N3S.ClH/c1-19(10-4-8-2-3-9(5-10)18-8)7-12-17-6-11(20-12)13(14,15)16;/h6,8-10,18H,2-5,7H2,1H3;1H
InChIKeyHNQFGGJSKKWFDE-UHFFFAOYSA-N
XLogP3.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.83
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride?
The IUPAC name of N-methyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride (CID 120836460) is N-methyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride?
The canonical SMILES for N-methyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride is CN(Cc1ncc(C(F)(F)F)s1)C1CC2CCC(C1)N2.Cl.
What is the InChIKey of N-methyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride?
The InChIKey is HNQFGGJSKKWFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3S.ClH/c1-19(10-4-8-2-3-9(5-10)18-8)7-12-17-6-11(20-12)13(14,15)16;/h6,8-10,18H,2-5,7H2,1H3;1H.
What are the key properties of N-methyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride?
N-methyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride has a molecular weight of 341.83 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride is sourced from PubChem (CID 120836460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).