6-(1,3-benzothiazol-2-ylcarbamoyl)pyridine-2-carboxylic acid

C14H9N3O3S — CID 43558353

IUPAC6-(1,3-benzothiazol-2-ylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)Nc2nc3ccccc3s2)n1
InChIInChI=1S/C14H9N3O3S/c18-12(9-5-3-6-10(15-9)13(19)20)17-14-16-8-4-1-2-7-11(8)21-14/h1-7H,(H,19,20)(H,16,17,18)
InChIKeyZZPNISSINYINAQ-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.64
Rot. Bonds3

About 6-(1,3-benzothiazol-2-ylcarbamoyl)pyridine-2-carboxylic acid

6-(1,3-benzothiazol-2-ylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 43558353) has the molecular formula C14H9N3O3S and a molecular weight of 299.31 g/mol. Its IUPAC name is 6-(1,3-benzothiazol-2-ylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(1,3-benzothiazol-2-ylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID43558353
Molecular FormulaC14H9N3O3S
Molecular Weight299.31 g/mol
Exact Mass299.04
IUPAC Name6-(1,3-benzothiazol-2-ylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)Nc2nc3ccccc3s2)n1
InChIInChI=1S/C14H9N3O3S/c18-12(9-5-3-6-10(15-9)13(19)20)17-14-16-8-4-1-2-7-11(8)21-14/h1-7H,(H,19,20)(H,16,17,18)
InChIKeyZZPNISSINYINAQ-UHFFFAOYSA-N
XLogP2.64
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-(1,3-benzothiazol-2-yl)-5-chloropyrazine-2-carboxamide
CID 113264920
N-(1,3-benzothiazol-2-yl)-5-(methylamino)pyridine-2-carboxamide
CID 104639786
2-amino-N-(1,3-benzothiazol-2-yl)benzamide
CID 828314
N-(1,3-benzothiazol-2-yl)-2-chloro-5-hydroxybenzamide
CID 106501274
N-(1,3-benzothiazol-2-yl)-3-(chloromethyl)benzamide
CID 43156362
2-[4-(1,3-benzothiazol-2-ylcarbamoyl)triazol-1-yl]acetic acid
CID 66290603
N-(1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55752794
3,5-diamino-N-(1,3-benzothiazol-2-yl)benzamide
CID 61092934
N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide
CID 62236744
1-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)urea
CID 834850

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzothiazol-2-ylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(1,3-benzothiazol-2-ylcarbamoyl)pyridine-2-carboxylic acid (CID 43558353) is 6-(1,3-benzothiazol-2-ylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(1,3-benzothiazol-2-ylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(1,3-benzothiazol-2-ylcarbamoyl)pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)Nc2nc3ccccc3s2)n1.
What is the InChIKey of 6-(1,3-benzothiazol-2-ylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is ZZPNISSINYINAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O3S/c18-12(9-5-3-6-10(15-9)13(19)20)17-14-16-8-4-1-2-7-11(8)21-14/h1-7H,(H,19,20)(H,16,17,18).
What are the key properties of 6-(1,3-benzothiazol-2-ylcarbamoyl)pyridine-2-carboxylic acid?
6-(1,3-benzothiazol-2-ylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 299.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzothiazol-2-ylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 43558353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).