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

C13H21N3S — CID 113486991

IUPACN-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(c1cscn1)N(C)C1CC2CCC(C1)N2
InChIInChI=1S/C13H21N3S/c1-9(13-7-17-8-14-13)16(2)12-5-10-3-4-11(6-12)15-10/h7-12,15H,3-6H2,1-2H3
InChIKeyZVLVTDJQGAKJBQ-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.42
Rot. Bonds3

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

N-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 113486991) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is N-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID113486991
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC NameN-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(c1cscn1)N(C)C1CC2CCC(C1)N2
InChIInChI=1S/C13H21N3S/c1-9(13-7-17-8-14-13)16(2)12-5-10-3-4-11(6-12)15-10/h7-12,15H,3-6H2,1-2H3
InChIKeyZVLVTDJQGAKJBQ-UHFFFAOYSA-N
XLogP2.42
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine 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-[1-(1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 113486991) is N-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine is CC(c1cscn1)N(C)C1CC2CCC(C1)N2.
What is the InChIKey of N-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is ZVLVTDJQGAKJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-9(13-7-17-8-14-13)16(2)12-5-10-3-4-11(6-12)15-10/h7-12,15H,3-6H2,1-2H3.
What are the key properties of N-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
N-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 251.40 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 113486991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).