2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid

C11H12N2O2S — CID 39197672

IUPAC2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid
SMILESCc1nc2sc3c(n2c1C(=O)O)CCCC3
InChIInChI=1S/C11H12N2O2S/c1-6-9(10(14)15)13-7-4-2-3-5-8(7)16-11(13)12-6/h2-5H2,1H3,(H,14,15)
InChIKeyINGHVWKZQADRFX-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.28
Rot. Bonds1

About 2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid

2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid (PubChem CID 39197672) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid
PubChem CID39197672
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid
SMILESCc1nc2sc3c(n2c1C(=O)O)CCCC3
InChIInChI=1S/C11H12N2O2S/c1-6-9(10(14)15)13-7-4-2-3-5-8(7)16-11(13)12-6/h2-5H2,1H3,(H,14,15)
InChIKeyINGHVWKZQADRFX-UHFFFAOYSA-N
XLogP2.28
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid?
The IUPAC name of 2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid (CID 39197672) is 2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid.
What is the SMILES notation for 2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid?
The canonical SMILES for 2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid is Cc1nc2sc3c(n2c1C(=O)O)CCCC3.
What is the InChIKey of 2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid?
The InChIKey is INGHVWKZQADRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-6-9(10(14)15)13-7-4-2-3-5-8(7)16-11(13)12-6/h2-5H2,1H3,(H,14,15).
What are the key properties of 2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid?
2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid has a molecular weight of 236.30 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid is sourced from PubChem (CID 39197672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).