7-chloro-1-methyl-4H-imidazo[5,1-c][1,4]benzothiazine-3-carboxylic acid

C12H9ClN2O2S — CID 70097254

IUPAC7-chloro-1-methyl-4H-imidazo[5,1-c][1,4]benzothiazine-3-carboxylic acid
SMILESCc1nc(C(=O)O)c2n1-c1ccc(Cl)cc1SC2
InChIInChI=1S/C12H9ClN2O2S/c1-6-14-11(12(16)17)9-5-18-10-4-7(13)2-3-8(10)15(6)9/h2-4H,5H2,1H3,(H,16,17)
InChIKeyRWCHUNABBHBSAU-UHFFFAOYSA-N
MW280.74 g/mol
LogP3.14
Rot. Bonds1

About 7-chloro-1-methyl-4H-imidazo[5,1-c][1,4]benzothiazine-3-carboxylic acid

7-chloro-1-methyl-4H-imidazo[5,1-c][1,4]benzothiazine-3-carboxylic acid (PubChem CID 70097254) has the molecular formula C12H9ClN2O2S and a molecular weight of 280.74 g/mol. Its IUPAC name is 7-chloro-1-methyl-4H-imidazo[5,1-c][1,4]benzothiazine-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-1-methyl-4H-imidazo[5,1-c][1,4]benzothiazine-3-carboxylic acid
PubChem CID70097254
Molecular FormulaC12H9ClN2O2S
Molecular Weight280.74 g/mol
Exact Mass280.01
IUPAC Name7-chloro-1-methyl-4H-imidazo[5,1-c][1,4]benzothiazine-3-carboxylic acid
SMILESCc1nc(C(=O)O)c2n1-c1ccc(Cl)cc1SC2
InChIInChI=1S/C12H9ClN2O2S/c1-6-14-11(12(16)17)9-5-18-10-4-7(13)2-3-8(10)15(6)9/h2-4H,5H2,1H3,(H,16,17)
InChIKeyRWCHUNABBHBSAU-UHFFFAOYSA-N
XLogP3.14
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.74
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-1-methyl-4H-imidazo[5,1-c][1,4]benzothiazine-3-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 7-chloro-1-methyl-4H-imidazo[5,1-c][1,4]benzothiazine-3-carboxylic acid?
The IUPAC name of 7-chloro-1-methyl-4H-imidazo[5,1-c][1,4]benzothiazine-3-carboxylic acid (CID 70097254) is 7-chloro-1-methyl-4H-imidazo[5,1-c][1,4]benzothiazine-3-carboxylic acid.
What is the SMILES notation for 7-chloro-1-methyl-4H-imidazo[5,1-c][1,4]benzothiazine-3-carboxylic acid?
The canonical SMILES for 7-chloro-1-methyl-4H-imidazo[5,1-c][1,4]benzothiazine-3-carboxylic acid is Cc1nc(C(=O)O)c2n1-c1ccc(Cl)cc1SC2.
What is the InChIKey of 7-chloro-1-methyl-4H-imidazo[5,1-c][1,4]benzothiazine-3-carboxylic acid?
The InChIKey is RWCHUNABBHBSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2S/c1-6-14-11(12(16)17)9-5-18-10-4-7(13)2-3-8(10)15(6)9/h2-4H,5H2,1H3,(H,16,17).
What are the key properties of 7-chloro-1-methyl-4H-imidazo[5,1-c][1,4]benzothiazine-3-carboxylic acid?
7-chloro-1-methyl-4H-imidazo[5,1-c][1,4]benzothiazine-3-carboxylic acid has a molecular weight of 280.74 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methyl-4H-imidazo[5,1-c][1,4]benzothiazine-3-carboxylic acid is sourced from PubChem (CID 70097254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).