5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carboxylic acid

C14H11N3O3S — CID 104638730

IUPAC5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carboxylic acid
SMILESCOc1ccc2nc(Nc3ccc(C(=O)O)nc3)sc2c1
InChIInChI=1S/C14H11N3O3S/c1-20-9-3-5-10-12(6-9)21-14(17-10)16-8-2-4-11(13(18)19)15-7-8/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyPQYPMVQVLFHKAW-UHFFFAOYSA-N
MW301.33 g/mol
LogP3.14
Rot. Bonds4

About 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carboxylic acid

5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carboxylic acid (PubChem CID 104638730) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carboxylic acid
PubChem CID104638730
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carboxylic acid
SMILESCOc1ccc2nc(Nc3ccc(C(=O)O)nc3)sc2c1
InChIInChI=1S/C14H11N3O3S/c1-20-9-3-5-10-12(6-9)21-14(17-10)16-8-2-4-11(13(18)19)15-7-8/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyPQYPMVQVLFHKAW-UHFFFAOYSA-N
XLogP3.14
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-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

Related Compounds

2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid
CID 29277301
6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7086355
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-benzothiazol-5-amine
CID 43968479
N-(3-ethoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 53414475
N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 53414489
trans-(1R,2R)-2-[4-[4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]cyclobutane-1-carboxylic acid
CID 11583413
N-(3,5-dichloro-4-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107575961
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
6-fluoro-N-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine
CID 79143632
6-methoxy-N-(2-methylphenyl)-1,3-benzothiazol-2-amine
CID 79018404
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
N-(2,6-dibromophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107601400

Frequently Asked Questions

What is the IUPAC name of 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carboxylic acid (CID 104638730) is 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carboxylic acid is COc1ccc2nc(Nc3ccc(C(=O)O)nc3)sc2c1.
What is the InChIKey of 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carboxylic acid?
The InChIKey is PQYPMVQVLFHKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c1-20-9-3-5-10-12(6-9)21-14(17-10)16-8-2-4-11(13(18)19)15-7-8/h2-7H,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carboxylic acid?
5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carboxylic acid has a molecular weight of 301.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104638730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).