2-[6-(4-chloro-2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine

C14H14ClN3OS — CID 63802614

IUPAC2-[6-(4-chloro-2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESCc1cc(Cl)ccc1Oc1nc2sccn2c1CCN
InChIInChI=1S/C14H14ClN3OS/c1-9-8-10(15)2-3-12(9)19-13-11(4-5-16)18-6-7-20-14(18)17-13/h2-3,6-8H,4-5,16H2,1H3
InChIKeyDWHHJDCERQLZIH-UHFFFAOYSA-N
MW307.81 g/mol
LogP3.65
Rot. Bonds4

About 2-[6-(4-chloro-2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine

2-[6-(4-chloro-2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (PubChem CID 63802614) has the molecular formula C14H14ClN3OS and a molecular weight of 307.81 g/mol. Its IUPAC name is 2-[6-(4-chloro-2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[6-(4-chloro-2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
PubChem CID63802614
Molecular FormulaC14H14ClN3OS
Molecular Weight307.81 g/mol
Exact Mass307.05
IUPAC Name2-[6-(4-chloro-2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESCc1cc(Cl)ccc1Oc1nc2sccn2c1CCN
InChIInChI=1S/C14H14ClN3OS/c1-9-8-10(15)2-3-12(9)19-13-11(4-5-16)18-6-7-20-14(18)17-13/h2-3,6-8H,4-5,16H2,1H3
InChIKeyDWHHJDCERQLZIH-UHFFFAOYSA-N
XLogP3.65
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(2,4-dimethylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43476093
1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 63803299
[6-(4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 43476675
2-[6-(3,5-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63803338
1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 43476745
1-[6-(4-chloro-2,6-dimethylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 43476617
[6-(2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43476132
2-[6-(3-bromo-5-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 81325942
5-(chloromethyl)-6-(2,4,5-trichlorophenoxy)imidazo[2,1-b][1,3]thiazole
CID 43476068
[6-(3-chloro-2-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 116689579
5-(bromomethyl)-6-(2,4,5-trichlorophenoxy)imidazo[2,1-b][1,3]thiazole
CID 107086431
2-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 55238545

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chloro-2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The IUPAC name of 2-[6-(4-chloro-2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (CID 63802614) is 2-[6-(4-chloro-2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[6-(4-chloro-2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[6-(4-chloro-2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is Cc1cc(Cl)ccc1Oc1nc2sccn2c1CCN.
What is the InChIKey of 2-[6-(4-chloro-2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The InChIKey is DWHHJDCERQLZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3OS/c1-9-8-10(15)2-3-12(9)19-13-11(4-5-16)18-6-7-20-14(18)17-13/h2-3,6-8H,4-5,16H2,1H3.
What are the key properties of 2-[6-(4-chloro-2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
2-[6-(4-chloro-2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine has a molecular weight of 307.81 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chloro-2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is sourced from PubChem (CID 63802614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).