6-hydroxy-2-methyl-1,3-benzothiazole-4-carboxylic acid

C9H7NO3S — CID 84676680

IUPAC6-hydroxy-2-methyl-1,3-benzothiazole-4-carboxylic acid
SMILESCc1nc2c(C(=O)O)cc(O)cc2s1
InChIInChI=1S/C9H7NO3S/c1-4-10-8-6(9(12)13)2-5(11)3-7(8)14-4/h2-3,11H,1H3,(H,12,13)
InChIKeyFKHQVAXROUDSGW-UHFFFAOYSA-N
MW209.23 g/mol
LogP2.01
Rot. Bonds1

About 6-hydroxy-2-methyl-1,3-benzothiazole-4-carboxylic acid

6-hydroxy-2-methyl-1,3-benzothiazole-4-carboxylic acid (PubChem CID 84676680) has the molecular formula C9H7NO3S and a molecular weight of 209.23 g/mol. Its IUPAC name is 6-hydroxy-2-methyl-1,3-benzothiazole-4-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-2-methyl-1,3-benzothiazole-4-carboxylic acid
PubChem CID84676680
Molecular FormulaC9H7NO3S
Molecular Weight209.23 g/mol
Exact Mass209.01
IUPAC Name6-hydroxy-2-methyl-1,3-benzothiazole-4-carboxylic acid
SMILESCc1nc2c(C(=O)O)cc(O)cc2s1
InChIInChI=1S/C9H7NO3S/c1-4-10-8-6(9(12)13)2-5(11)3-7(8)14-4/h2-3,11H,1H3,(H,12,13)
InChIKeyFKHQVAXROUDSGW-UHFFFAOYSA-N
XLogP2.01
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-hydroxy-2-methyl-1,3-benzothiazole-4-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 6-hydroxy-2-methyl-1,3-benzothiazole-4-carboxylic acid?
The IUPAC name of 6-hydroxy-2-methyl-1,3-benzothiazole-4-carboxylic acid (CID 84676680) is 6-hydroxy-2-methyl-1,3-benzothiazole-4-carboxylic acid.
What is the SMILES notation for 6-hydroxy-2-methyl-1,3-benzothiazole-4-carboxylic acid?
The canonical SMILES for 6-hydroxy-2-methyl-1,3-benzothiazole-4-carboxylic acid is Cc1nc2c(C(=O)O)cc(O)cc2s1.
What is the InChIKey of 6-hydroxy-2-methyl-1,3-benzothiazole-4-carboxylic acid?
The InChIKey is FKHQVAXROUDSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S/c1-4-10-8-6(9(12)13)2-5(11)3-7(8)14-4/h2-3,11H,1H3,(H,12,13).
What are the key properties of 6-hydroxy-2-methyl-1,3-benzothiazole-4-carboxylic acid?
6-hydroxy-2-methyl-1,3-benzothiazole-4-carboxylic acid has a molecular weight of 209.23 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-methyl-1,3-benzothiazole-4-carboxylic acid is sourced from PubChem (CID 84676680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).