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

C11H8N2O2S — CID 10443929

IUPAC8-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
SMILESCc1cccc2sc3nc(C(=O)O)cn3c12
InChIInChI=1S/C11H8N2O2S/c1-6-3-2-4-8-9(6)13-5-7(10(14)15)12-11(13)16-8/h2-5H,1H3,(H,14,15)
InChIKeyPALBFWUXAKDXIZ-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.56
Rot. Bonds1

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

8-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid (PubChem CID 10443929) has the molecular formula C11H8N2O2S and a molecular weight of 232.26 g/mol. Its IUPAC name is 8-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid.

Molecular Properties

Compound Name8-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
PubChem CID10443929
Molecular FormulaC11H8N2O2S
Molecular Weight232.26 g/mol
Exact Mass232.03
IUPAC Name8-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
SMILESCc1cccc2sc3nc(C(=O)O)cn3c12
InChIInChI=1S/C11H8N2O2S/c1-6-3-2-4-8-9(6)13-5-7(10(14)15)12-11(13)16-8/h2-5H,1H3,(H,14,15)
InChIKeyPALBFWUXAKDXIZ-UHFFFAOYSA-N
XLogP2.56
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid?
The IUPAC name of 8-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid (CID 10443929) is 8-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid.
What is the SMILES notation for 8-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid?
The canonical SMILES for 8-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid is Cc1cccc2sc3nc(C(=O)O)cn3c12.
What is the InChIKey of 8-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid?
The InChIKey is PALBFWUXAKDXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2S/c1-6-3-2-4-8-9(6)13-5-7(10(14)15)12-11(13)16-8/h2-5H,1H3,(H,14,15).
What are the key properties of 8-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid?
8-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid has a molecular weight of 232.26 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid is sourced from PubChem (CID 10443929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).