1-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride

C12H14ClN3OS — CID 82020583

IUPAC1-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride
SMILESCOc1ccc2c(c1)sc1nc(C(C)N)cn12.Cl
InChIInChI=1S/C12H13N3OS.ClH/c1-7(13)9-6-15-10-4-3-8(16-2)5-11(10)17-12(15)14-9;/h3-7H,13H2,1-2H3;1H
InChIKeyIJQWCFWJIWQWES-UHFFFAOYSA-N
MW283.78 g/mol
LogP3.00
Rot. Bonds2

About 1-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride

1-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride (PubChem CID 82020583) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is 1-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride
PubChem CID82020583
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC Name1-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride
SMILESCOc1ccc2c(c1)sc1nc(C(C)N)cn12.Cl
InChIInChI=1S/C12H13N3OS.ClH/c1-7(13)9-6-15-10-4-3-8(16-2)5-11(10)17-12(15)14-9;/h3-7H,13H2,1-2H3;1H
InChIKeyIJQWCFWJIWQWES-UHFFFAOYSA-N
XLogP3.00
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride
CID 82019098
1-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine
CID 82020576
5-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-2-methylpent-4-enal
CID 155607270
2-(4-ethylphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole
CID 19209631
2-(2,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole
CID 735306
6-methoxy-2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole
CID 19209639
(6-ethoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine
CID 28750479
6-methoxy-[1,4,2]diazaphospholo[5,1-b][1,3]benzothiazole
CID 134989757
6-methoxy-[1,3]thiazolo[3,2-a]benzimidazole-2-carbaldehyde
CID 126617781
6-butyl-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 3968689
(1S)-1-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 83858310
6-ethoxy-2-(2-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 19209658

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride (CID 82020583) is 1-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride is COc1ccc2c(c1)sc1nc(C(C)N)cn12.Cl.
What is the InChIKey of 1-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride?
The InChIKey is IJQWCFWJIWQWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS.ClH/c1-7(13)9-6-15-10-4-3-8(16-2)5-11(10)17-12(15)14-9;/h3-7H,13H2,1-2H3;1H.
What are the key properties of 1-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride?
1-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride has a molecular weight of 283.78 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 82020583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).