6-chloro-3-(imidazol-1-ylmethyl)-1,2-benzothiazole;hydrochloride

C11H9Cl2N3S — CID 22165682

IUPAC6-chloro-3-(imidazol-1-ylmethyl)-1,2-benzothiazole;hydrochloride
SMILESCl.Clc1ccc2c(Cn3ccnc3)nsc2c1
InChIInChI=1S/C11H8ClN3S.ClH/c12-8-1-2-9-10(14-16-11(9)5-8)6-15-4-3-13-7-15;/h1-5,7H,6H2;1H
InChIKeyGKVNOESLWXSYTB-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.62
Rot. Bonds2

About 6-chloro-3-(imidazol-1-ylmethyl)-1,2-benzothiazole;hydrochloride

6-chloro-3-(imidazol-1-ylmethyl)-1,2-benzothiazole;hydrochloride (PubChem CID 22165682) has the molecular formula C11H9Cl2N3S and a molecular weight of 286.19 g/mol. Its IUPAC name is 6-chloro-3-(imidazol-1-ylmethyl)-1,2-benzothiazole;hydrochloride.

Molecular Properties

Compound Name6-chloro-3-(imidazol-1-ylmethyl)-1,2-benzothiazole;hydrochloride
PubChem CID22165682
Molecular FormulaC11H9Cl2N3S
Molecular Weight286.19 g/mol
Exact Mass284.99
IUPAC Name6-chloro-3-(imidazol-1-ylmethyl)-1,2-benzothiazole;hydrochloride
SMILESCl.Clc1ccc2c(Cn3ccnc3)nsc2c1
InChIInChI=1S/C11H8ClN3S.ClH/c12-8-1-2-9-10(14-16-11(9)5-8)6-15-4-3-13-7-15;/h1-5,7H,6H2;1H
InChIKeyGKVNOESLWXSYTB-UHFFFAOYSA-N
XLogP3.62
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-(imidazol-1-ylmethyl)-1,2-benzothiazole;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

6-chloro-3-[(4-methylimidazol-1-yl)methyl]-1,2-benzothiazole
CID 14575069
3,6-dichloro-1,2-benzothiazole
CID 10560097
1-[(4-chloro-2-methoxyphenyl)methyl]imidazole
CID 69219836
1-[(E)-3-(5-chloro-3-methyl-1-benzothiophen-2-yl)prop-2-enyl]imidazole
CID 22091596
1-[(6-chloro-2,3-dihydro-1-benzothiophen-2-yl)methyl]imidazole
CID 54123992
N-benzyl-6-chloro-2-(imidazol-1-ylmethyl)quinazolin-4-amine;dihydrochloride
CID 19392239
(2,4-dichlorophenyl)-(imidazol-1-ylmethyl)-dimethylsilane
CID 13392416
bis(2,4-dichlorophenyl)-(imidazol-1-ylmethyl)-methylsilane
CID 13392449
2-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole
CID 15925546
6-chloro-2-(imidazol-1-ylmethyl)-N-phenylquinazolin-4-amine
CID 19392116
3-(imidazol-1-ylmethyl)benzo[f][1,2]benzoxazole;hydrochloride
CID 22165654
1-(2,5-dichlorophenyl)-2-imidazol-1-ylethanol
CID 12760611

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(imidazol-1-ylmethyl)-1,2-benzothiazole;hydrochloride?
The IUPAC name of 6-chloro-3-(imidazol-1-ylmethyl)-1,2-benzothiazole;hydrochloride (CID 22165682) is 6-chloro-3-(imidazol-1-ylmethyl)-1,2-benzothiazole;hydrochloride.
What is the SMILES notation for 6-chloro-3-(imidazol-1-ylmethyl)-1,2-benzothiazole;hydrochloride?
The canonical SMILES for 6-chloro-3-(imidazol-1-ylmethyl)-1,2-benzothiazole;hydrochloride is Cl.Clc1ccc2c(Cn3ccnc3)nsc2c1.
What is the InChIKey of 6-chloro-3-(imidazol-1-ylmethyl)-1,2-benzothiazole;hydrochloride?
The InChIKey is GKVNOESLWXSYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3S.ClH/c12-8-1-2-9-10(14-16-11(9)5-8)6-15-4-3-13-7-15;/h1-5,7H,6H2;1H.
What are the key properties of 6-chloro-3-(imidazol-1-ylmethyl)-1,2-benzothiazole;hydrochloride?
6-chloro-3-(imidazol-1-ylmethyl)-1,2-benzothiazole;hydrochloride has a molecular weight of 286.19 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(imidazol-1-ylmethyl)-1,2-benzothiazole;hydrochloride is sourced from PubChem (CID 22165682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).