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

C12H14ClN3S — CID 82019098

IUPAC1-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride
SMILESCc1ccc2c(c1)sc1nc(C(C)N)cn12.Cl
InChIInChI=1S/C12H13N3S.ClH/c1-7-3-4-10-11(5-7)16-12-14-9(8(2)13)6-15(10)12;/h3-6,8H,13H2,1-2H3;1H
InChIKeyLHNBCQKKDUZZOS-UHFFFAOYSA-N
MW267.79 g/mol
LogP3.30
Rot. Bonds1

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

1-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride (PubChem CID 82019098) has the molecular formula C12H14ClN3S and a molecular weight of 267.79 g/mol. Its IUPAC name is 1-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride
PubChem CID82019098
Molecular FormulaC12H14ClN3S
Molecular Weight267.79 g/mol
Exact Mass267.06
IUPAC Name1-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride
SMILESCc1ccc2c(c1)sc1nc(C(C)N)cn12.Cl
InChIInChI=1S/C12H13N3S.ClH/c1-7-3-4-10-11(5-7)16-12-14-9(8(2)13)6-15(10)12;/h3-6,8H,13H2,1-2H3;1H
InChIKeyLHNBCQKKDUZZOS-UHFFFAOYSA-N
XLogP3.30
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.79
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine
CID 82020576
1-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride
CID 82020583
6-methyl-2-(5-methyl-1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole
CID 44607435
3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol
CID 12811336
2-(5-chloro-1-benzofuran-2-yl)-6-methylimidazo[2,1-b][1,3]benzothiazole
CID 44607261
[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]phosphane
CID 145482411
2-(2,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole
CID 735306
2-methyl-6-nitroimidazo[2,1-b][1,3]benzothiazole
CID 137320011
2-(2,4-dimethylphenyl)-6-ethoxyimidazo[2,1-b][1,3]benzothiazole
CID 19209821
2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 164571656
5-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)thiophen-2-amine
CID 54919687
ethyl 2-[(2-tert-butylimidazo[2,1-b][1,3]benzothiazol-6-yl)amino]acetate;hydrochloride
CID 139804029

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride (CID 82019098) is 1-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride is Cc1ccc2c(c1)sc1nc(C(C)N)cn12.Cl.
What is the InChIKey of 1-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride?
The InChIKey is LHNBCQKKDUZZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S.ClH/c1-7-3-4-10-11(5-7)16-12-14-9(8(2)13)6-15(10)12;/h3-6,8H,13H2,1-2H3;1H.
What are the key properties of 1-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride?
1-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride has a molecular weight of 267.79 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 82019098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).