2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid

C14H11N3O3S — CID 29277301

IUPAC2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid
SMILESCOc1ccc2nc(Nc3cc(C(=O)O)ccn3)sc2c1
InChIInChI=1S/C14H11N3O3S/c1-20-9-2-3-10-11(7-9)21-14(16-10)17-12-6-8(13(18)19)4-5-15-12/h2-7H,1H3,(H,18,19)(H,15,16,17)
InChIKeyNCCHIWCBFXWFJW-UHFFFAOYSA-N
MW301.33 g/mol
LogP3.14
Rot. Bonds4

About 2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid

2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid (PubChem CID 29277301) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid
PubChem CID29277301
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid
SMILESCOc1ccc2nc(Nc3cc(C(=O)O)ccn3)sc2c1
InChIInChI=1S/C14H11N3O3S/c1-20-9-2-3-10-11(7-9)21-14(16-10)17-12-6-8(13(18)19)4-5-15-12/h2-7H,1H3,(H,18,19)(H,15,16,17)
InChIKeyNCCHIWCBFXWFJW-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

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Related Compounds

5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carboxylic acid
CID 104638730
4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,6-diamine
CID 114561888
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
ethyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylate
CID 108773602
2-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2,5-diamine
CID 80653006
2-bromo-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 17244835
4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496132
2-ethylsulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 60564743
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-sulfanylpropanamide
CID 107020679
5-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thiophene-3-carboxylic acid
CID 167898418
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid (CID 29277301) is 2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid is COc1ccc2nc(Nc3cc(C(=O)O)ccn3)sc2c1.
What is the InChIKey of 2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid?
The InChIKey is NCCHIWCBFXWFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c1-20-9-2-3-10-11(7-9)21-14(16-10)17-12-6-8(13(18)19)4-5-15-12/h2-7H,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid?
2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-4-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 2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 29277301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).