5-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxylic acid

C14H10N2O3S — CID 134434727

IUPAC5-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxylic acid
SMILESCOc1ccc2sc(-c3ccc(C(=O)O)nc3)nc2c1
InChIInChI=1S/C14H10N2O3S/c1-19-9-3-5-12-11(6-9)16-13(20-12)8-2-4-10(14(17)18)15-7-8/h2-7H,1H3,(H,17,18)
InChIKeyLIUZJBHKUQGOSZ-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.07
Rot. Bonds3

About 5-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxylic acid

5-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxylic acid (PubChem CID 134434727) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is 5-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxylic acid
PubChem CID134434727
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Name5-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxylic acid
SMILESCOc1ccc2sc(-c3ccc(C(=O)O)nc3)nc2c1
InChIInChI=1S/C14H10N2O3S/c1-19-9-3-5-12-11(6-9)16-13(20-12)8-2-4-10(14(17)18)15-7-8/h2-7H,1H3,(H,17,18)
InChIKeyLIUZJBHKUQGOSZ-UHFFFAOYSA-N
XLogP3.07
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphenyl)pyridine-2-carboxylic acid
CID 52983912
5-methoxy-1,3-benzothiazole-2-carboxylic acid
CID 45077357
5-(2,5-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53211472
[4-(5-methoxy-1,3-benzothiazol-2-yl)phenyl]methanamine
CID 170352699
4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]piperazine-1-carboxylic acid
CID 123937349
2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole
CID 58983612
5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carboxylic acid
CID 104638730
5-methoxy-2-[4-[(E)-2-(4-nitrosophenyl)ethenyl]phenyl]-1,3-benzothiazole
CID 88927246
5-methoxy-2-[5-(5-methoxy-1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole
CID 86116798
2-amino-N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide;hydrochloride
CID 142322408
ethane;N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide;S-methylthiohydroxylamine
CID 142322420
2-(4-carboxyphenyl)-1,3-benzothiazole-5-carboxylic acid
CID 142416097

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxylic acid (CID 134434727) is 5-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxylic acid is COc1ccc2sc(-c3ccc(C(=O)O)nc3)nc2c1.
What is the InChIKey of 5-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxylic acid?
The InChIKey is LIUZJBHKUQGOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c1-19-9-3-5-12-11(6-9)16-13(20-12)8-2-4-10(14(17)18)15-7-8/h2-7H,1H3,(H,17,18).
What are the key properties of 5-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxylic acid?
5-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxylic acid has a molecular weight of 286.31 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 134434727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).