8-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid

C11H8N2O3S — CID 14067618

IUPAC8-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
SMILESCOc1cccc2sc3nc(C(=O)O)cn3c12
InChIInChI=1S/C11H8N2O3S/c1-16-7-3-2-4-8-9(7)13-5-6(10(14)15)12-11(13)17-8/h2-5H,1H3,(H,14,15)
InChIKeyVRFYGWXULGHBOE-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.26
Rot. Bonds2

About 8-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid

8-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid (PubChem CID 14067618) has the molecular formula C11H8N2O3S and a molecular weight of 248.26 g/mol. Its IUPAC name is 8-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid.

Molecular Properties

Compound Name8-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
PubChem CID14067618
Molecular FormulaC11H8N2O3S
Molecular Weight248.26 g/mol
Exact Mass248.03
IUPAC Name8-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
SMILESCOc1cccc2sc3nc(C(=O)O)cn3c12
InChIInChI=1S/C11H8N2O3S/c1-16-7-3-2-4-8-9(7)13-5-6(10(14)15)12-11(13)17-8/h2-5H,1H3,(H,14,15)
InChIKeyVRFYGWXULGHBOE-UHFFFAOYSA-N
XLogP2.26
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-methoxyimidazo[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

Frequently Asked Questions

What is the IUPAC name of 8-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid?
The IUPAC name of 8-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid (CID 14067618) is 8-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid.
What is the SMILES notation for 8-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid?
The canonical SMILES for 8-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid is COc1cccc2sc3nc(C(=O)O)cn3c12.
What is the InChIKey of 8-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid?
The InChIKey is VRFYGWXULGHBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3S/c1-16-7-3-2-4-8-9(7)13-5-6(10(14)15)12-11(13)17-8/h2-5H,1H3,(H,14,15).
What are the key properties of 8-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid?
8-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid has a molecular weight of 248.26 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid is sourced from PubChem (CID 14067618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).