N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-methylphenoxy)ethanamine

C15H17N3OS — CID 115278977

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-methylphenoxy)ethanamine
SMILESCc1cccc(OCCNCc2cn3ccsc3n2)c1
InChIInChI=1S/C15H17N3OS/c1-12-3-2-4-14(9-12)19-7-5-16-10-13-11-18-6-8-20-15(18)17-13/h2-4,6,8-9,11,16H,5,7,10H2,1H3
InChIKeyHXYJQIKOXAKRPJ-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.87
Rot. Bonds6

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-methylphenoxy)ethanamine

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-methylphenoxy)ethanamine (PubChem CID 115278977) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-methylphenoxy)ethanamine.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-methylphenoxy)ethanamine
PubChem CID115278977
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-methylphenoxy)ethanamine
SMILESCc1cccc(OCCNCc2cn3ccsc3n2)c1
InChIInChI=1S/C15H17N3OS/c1-12-3-2-4-14(9-12)19-7-5-16-10-13-11-18-6-8-20-15(18)17-13/h2-4,6,8-9,11,16H,5,7,10H2,1H3
InChIKeyHXYJQIKOXAKRPJ-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 40723170
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 115331583
N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine
CID 115331304
N-[(6-bromo-2-pyridinyl)methyl]-2-(3-methylphenoxy)ethanamine
CID 112582261
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-phenoxyethyl)acetamide
CID 32933501
6-[(3-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334810
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrazol-3-yl]methyl]-2-methoxyethanamine
CID 115334657
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propoxyphenyl)ethanamine
CID 105023564
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(3-methylphenoxy)ethanamine
CID 104878449
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-iodopropan-1-amine
CID 114503614
6-[2-(chloromethyl)-3-(3-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335168
2-(3-methylphenoxy)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 107042297

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-methylphenoxy)ethanamine?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-methylphenoxy)ethanamine (CID 115278977) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-methylphenoxy)ethanamine.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-methylphenoxy)ethanamine?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-methylphenoxy)ethanamine is Cc1cccc(OCCNCc2cn3ccsc3n2)c1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-methylphenoxy)ethanamine?
The InChIKey is HXYJQIKOXAKRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-12-3-2-4-14(9-12)19-7-5-16-10-13-11-18-6-8-20-15(18)17-13/h2-4,6,8-9,11,16H,5,7,10H2,1H3.
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-methylphenoxy)ethanamine?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-methylphenoxy)ethanamine has a molecular weight of 287.39 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-methylphenoxy)ethanamine is sourced from PubChem (CID 115278977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).