N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine

C15H17N3OS — CID 115331304

IUPACN-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OCc2cn3ccsc3n2)c1
InChIInChI=1S/C15H17N3OS/c1-2-16-9-12-4-3-5-14(8-12)19-11-13-10-18-6-7-20-15(18)17-13/h3-8,10,16H,2,9,11H2,1H3
InChIKeySQNFAVWGRFBRFG-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.08
Rot. Bonds6

About N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine

N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine (PubChem CID 115331304) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine
PubChem CID115331304
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OCc2cn3ccsc3n2)c1
InChIInChI=1S/C15H17N3OS/c1-2-16-9-12-4-3-5-14(8-12)19-11-13-10-18-6-7-20-15(18)17-13/h3-8,10,16H,2,9,11H2,1H3
InChIKeySQNFAVWGRFBRFG-UHFFFAOYSA-N
XLogP3.08
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine 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

6-[(3-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334810
N-[[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine
CID 115953331
N'-hydroxy-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzenecarboximidamide
CID 115331977
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(3-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111249562
1-(3-chlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 115278962
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 51115677
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-methylphenoxy)ethanamine
CID 115278977
3-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]benzonitrile
CID 115279005
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[(3-methoxyphenyl)methyl]-1,2-dimethylguanidine
CID 119131372
1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanol
CID 115332160
2-amino-5-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
CID 107076961
1-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylmethanamine
CID 107686523

Frequently Asked Questions

What is the IUPAC name of N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine (CID 115331304) is N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine is CCNCc1cccc(OCc2cn3ccsc3n2)c1.
What is the InChIKey of N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine?
The InChIKey is SQNFAVWGRFBRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-2-16-9-12-4-3-5-14(8-12)19-11-13-10-18-6-7-20-15(18)17-13/h3-8,10,16H,2,9,11H2,1H3.
What are the key properties of N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine?
N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine has a molecular weight of 287.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 115331304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).