7-chloroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid

C10H5ClN2O2S — CID 118971242

IUPAC7-chloroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
SMILESO=C(O)c1cn2c(n1)sc1ccc(Cl)cc12
InChIInChI=1S/C10H5ClN2O2S/c11-5-1-2-8-7(3-5)13-4-6(9(14)15)12-10(13)16-8/h1-4H,(H,14,15)
InChIKeyUKKXWGYABSJWFK-UHFFFAOYSA-N
MW252.68 g/mol
LogP2.90
Rot. Bonds1

About 7-chloroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid

7-chloroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid (PubChem CID 118971242) has the molecular formula C10H5ClN2O2S and a molecular weight of 252.68 g/mol. Its IUPAC name is 7-chloroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid.

Molecular Properties

Compound Name7-chloroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
PubChem CID118971242
Molecular FormulaC10H5ClN2O2S
Molecular Weight252.68 g/mol
Exact Mass251.98
IUPAC Name7-chloroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
SMILESO=C(O)c1cn2c(n1)sc1ccc(Cl)cc12
InChIInChI=1S/C10H5ClN2O2S/c11-5-1-2-8-7(3-5)13-4-6(9(14)15)12-10(13)16-8/h1-4H,(H,14,15)
InChIKeyUKKXWGYABSJWFK-UHFFFAOYSA-N
XLogP2.90
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid 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

6,7-dimethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
CID 10243643
7-chloro-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
CID 118971303
2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 20886950
cyclopropyl-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanone
CID 14519703
2-amino-7-chloro-[1,3,5]triazino[2,1-b][1,3]benzothiazol-4-one
CID 86239917
methyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 14067629
2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 82061889
1-imidazo[2,1-b][1,3]benzothiazol-2-yl-2-iodopropan-1-one
CID 134578152
1-(4-benzoylpiperazin-1-yl)-2-imidazo[2,1-b][1,3]benzothiazol-2-ylethane-1,2-dione
CID 155519442
5-(5-chloro-1-benzothiophen-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 115109973
ethane;2-[(3E)-penta-1,3-dien-3-yl]imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid;prop-1-ene
CID 170717195
2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole
CID 667714

Frequently Asked Questions

What is the IUPAC name of 7-chloroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid?
The IUPAC name of 7-chloroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid (CID 118971242) is 7-chloroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid.
What is the SMILES notation for 7-chloroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid?
The canonical SMILES for 7-chloroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid is O=C(O)c1cn2c(n1)sc1ccc(Cl)cc12.
What is the InChIKey of 7-chloroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid?
The InChIKey is UKKXWGYABSJWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN2O2S/c11-5-1-2-8-7(3-5)13-4-6(9(14)15)12-10(13)16-8/h1-4H,(H,14,15).
What are the key properties of 7-chloroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid?
7-chloroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid has a molecular weight of 252.68 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid is sourced from PubChem (CID 118971242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).