N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]octan-2-amine

C16H27N3S — CID 43791067

IUPACN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]octan-2-amine
SMILESCCCCCCC(C)NCc1c(C)nc2scc(C)n12
InChIInChI=1S/C16H27N3S/c1-5-6-7-8-9-12(2)17-10-15-14(4)18-16-19(15)13(3)11-20-16/h11-12,17H,5-10H2,1-4H3
InChIKeyJWGWLGMAPXAGSE-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.46
Rot. Bonds8

About N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]octan-2-amine

N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]octan-2-amine (PubChem CID 43791067) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]octan-2-amine.

Molecular Properties

Compound NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]octan-2-amine
PubChem CID43791067
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]octan-2-amine
SMILESCCCCCCC(C)NCc1c(C)nc2scc(C)n12
InChIInChI=1S/C16H27N3S/c1-5-6-7-8-9-12(2)17-10-15-14(4)18-16-19(15)13(3)11-20-16/h11-12,17H,5-10H2,1-4H3
InChIKeyJWGWLGMAPXAGSE-UHFFFAOYSA-N
XLogP4.46
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]octan-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]hexan-1-amine
CID 43769657
2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hexanoic acid
CID 82364433
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-7-methyloctan-1-amine
CID 43771297
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]heptan-2-amine
CID 43625914
(1S)-1-cycloheptyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81388364
(1R)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401969
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106281929
(1S)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81369959
(1S)-1-(3-chlorophenyl)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81362064
1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylpropan-2-ol
CID 65103083
1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylbutan-2-ol
CID 65108373
1-cyclopropyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
CID 43756750

Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]octan-2-amine?
The IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]octan-2-amine (CID 43791067) is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]octan-2-amine.
What is the SMILES notation for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]octan-2-amine?
The canonical SMILES for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]octan-2-amine is CCCCCCC(C)NCc1c(C)nc2scc(C)n12.
What is the InChIKey of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]octan-2-amine?
The InChIKey is JWGWLGMAPXAGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-5-6-7-8-9-12(2)17-10-15-14(4)18-16-19(15)13(3)11-20-16/h11-12,17H,5-10H2,1-4H3.
What are the key properties of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]octan-2-amine?
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]octan-2-amine has a molecular weight of 293.48 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]octan-2-amine is sourced from PubChem (CID 43791067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).