3-(4,5-dimethyl-1,3-thiazol-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

C13H21N3S — CID 61332055

IUPAC3-(4,5-dimethyl-1,3-thiazol-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1nc(C2(N)CC3CCC(C2)N3C)sc1C
InChIInChI=1S/C13H21N3S/c1-8-9(2)17-12(15-8)13(14)6-10-4-5-11(7-13)16(10)3/h10-11H,4-7,14H2,1-3H3
InChIKeyOMNLNMRYVAUYEO-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.17
Rot. Bonds1

About 3-(4,5-dimethyl-1,3-thiazol-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

3-(4,5-dimethyl-1,3-thiazol-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61332055) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61332055
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1nc(C2(N)CC3CCC(C2)N3C)sc1C
InChIInChI=1S/C13H21N3S/c1-8-9(2)17-12(15-8)13(14)6-10-4-5-11(7-13)16(10)3/h10-11H,4-7,14H2,1-3H3
InChIKeyOMNLNMRYVAUYEO-UHFFFAOYSA-N
XLogP2.17
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4,5-dimethyl-1,3-thiazol-2-yl)-8-methyl-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 3-(4,5-dimethyl-1,3-thiazol-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 61332055) is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is Cc1nc(C2(N)CC3CCC(C2)N3C)sc1C.
What is the InChIKey of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is OMNLNMRYVAUYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-8-9(2)17-12(15-8)13(14)6-10-4-5-11(7-13)16(10)3/h10-11H,4-7,14H2,1-3H3.
What are the key properties of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
3-(4,5-dimethyl-1,3-thiazol-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 251.40 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61332055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).