6,7-dimethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid

C12H10N2O2S — CID 10243643

IUPAC6,7-dimethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
SMILESCc1cc2sc3nc(C(=O)O)cn3c2cc1C
InChIInChI=1S/C12H10N2O2S/c1-6-3-9-10(4-7(6)2)17-12-13-8(11(15)16)5-14(9)12/h3-5H,1-2H3,(H,15,16)
InChIKeyUAHIEZQSBXHATR-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.86
Rot. Bonds1

About 6,7-dimethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid

6,7-dimethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid (PubChem CID 10243643) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is 6,7-dimethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid.

Molecular Properties

Compound Name6,7-dimethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
PubChem CID10243643
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC Name6,7-dimethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
SMILESCc1cc2sc3nc(C(=O)O)cn3c2cc1C
InChIInChI=1S/C12H10N2O2S/c1-6-3-9-10(4-7(6)2)17-12-13-8(11(15)16)5-14(9)12/h3-5H,1-2H3,(H,15,16)
InChIKeyUAHIEZQSBXHATR-UHFFFAOYSA-N
XLogP2.86
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid?
The IUPAC name of 6,7-dimethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid (CID 10243643) is 6,7-dimethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid.
What is the SMILES notation for 6,7-dimethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid?
The canonical SMILES for 6,7-dimethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid is Cc1cc2sc3nc(C(=O)O)cn3c2cc1C.
What is the InChIKey of 6,7-dimethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid?
The InChIKey is UAHIEZQSBXHATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c1-6-3-9-10(4-7(6)2)17-12-13-8(11(15)16)5-14(9)12/h3-5H,1-2H3,(H,15,16).
What are the key properties of 6,7-dimethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid?
6,7-dimethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid has a molecular weight of 246.29 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid is sourced from PubChem (CID 10243643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).