6-methoxy-2-phenyl-1,3-benzothiazole-5-carboxylic acid

C15H11NO3S — CID 67851580

IUPAC6-methoxy-2-phenyl-1,3-benzothiazole-5-carboxylic acid
SMILESCOc1cc2sc(-c3ccccc3)nc2cc1C(=O)O
InChIInChI=1S/C15H11NO3S/c1-19-12-8-13-11(7-10(12)15(17)18)16-14(20-13)9-5-3-2-4-6-9/h2-8H,1H3,(H,17,18)
InChIKeyBXTRHQBBZJLEPI-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.67
Rot. Bonds3

About 6-methoxy-2-phenyl-1,3-benzothiazole-5-carboxylic acid

6-methoxy-2-phenyl-1,3-benzothiazole-5-carboxylic acid (PubChem CID 67851580) has the molecular formula C15H11NO3S and a molecular weight of 285.32 g/mol. Its IUPAC name is 6-methoxy-2-phenyl-1,3-benzothiazole-5-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-2-phenyl-1,3-benzothiazole-5-carboxylic acid
PubChem CID67851580
Molecular FormulaC15H11NO3S
Molecular Weight285.32 g/mol
Exact Mass285.05
IUPAC Name6-methoxy-2-phenyl-1,3-benzothiazole-5-carboxylic acid
SMILESCOc1cc2sc(-c3ccccc3)nc2cc1C(=O)O
InChIInChI=1S/C15H11NO3S/c1-19-12-8-13-11(7-10(12)15(17)18)16-14(20-13)9-5-3-2-4-6-9/h2-8H,1H3,(H,17,18)
InChIKeyBXTRHQBBZJLEPI-UHFFFAOYSA-N
XLogP3.67
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-2-phenyl-1,3-benzothiazole-5-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-methoxy-2-phenyl-1,3-benzothiazole-5-carboxylic acid?
The IUPAC name of 6-methoxy-2-phenyl-1,3-benzothiazole-5-carboxylic acid (CID 67851580) is 6-methoxy-2-phenyl-1,3-benzothiazole-5-carboxylic acid.
What is the SMILES notation for 6-methoxy-2-phenyl-1,3-benzothiazole-5-carboxylic acid?
The canonical SMILES for 6-methoxy-2-phenyl-1,3-benzothiazole-5-carboxylic acid is COc1cc2sc(-c3ccccc3)nc2cc1C(=O)O.
What is the InChIKey of 6-methoxy-2-phenyl-1,3-benzothiazole-5-carboxylic acid?
The InChIKey is BXTRHQBBZJLEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S/c1-19-12-8-13-11(7-10(12)15(17)18)16-14(20-13)9-5-3-2-4-6-9/h2-8H,1H3,(H,17,18).
What are the key properties of 6-methoxy-2-phenyl-1,3-benzothiazole-5-carboxylic acid?
6-methoxy-2-phenyl-1,3-benzothiazole-5-carboxylic acid has a molecular weight of 285.32 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-phenyl-1,3-benzothiazole-5-carboxylic acid is sourced from PubChem (CID 67851580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).