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

C14H23N3S — CID 113459578

IUPAC[4-ethyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(C2CC3CCC(C2)N3C)sc1CN
InChIInChI=1S/C14H23N3S/c1-3-12-13(8-15)18-14(16-12)9-6-10-4-5-11(7-9)17(10)2/h9-11H,3-8,15H2,1-2H3
InChIKeyLDMUVWAXALQBFQ-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.50
Rot. Bonds3

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

[4-ethyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 113459578) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is [4-ethyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID113459578
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name[4-ethyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(C2CC3CCC(C2)N3C)sc1CN
InChIInChI=1S/C14H23N3S/c1-3-12-13(8-15)18-14(16-12)9-6-10-4-5-11(7-9)17(10)2/h9-11H,3-8,15H2,1-2H3
InChIKeyLDMUVWAXALQBFQ-UHFFFAOYSA-N
XLogP2.50
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-ethyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine 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 [4-ethyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-ethyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine (CID 113459578) is [4-ethyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-ethyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-ethyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine is CCc1nc(C2CC3CCC(C2)N3C)sc1CN.
What is the InChIKey of [4-ethyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is LDMUVWAXALQBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-3-12-13(8-15)18-14(16-12)9-6-10-4-5-11(7-9)17(10)2/h9-11H,3-8,15H2,1-2H3.
What are the key properties of [4-ethyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine?
[4-ethyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 265.43 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 113459578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).