6-(thiatriazol-5-ylcarbamoyl)pyridine-3-carboxylic acid

C8H5N5O3S — CID 114913629

IUPAC6-(thiatriazol-5-ylcarbamoyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)Nc2nnns2)nc1
InChIInChI=1S/C8H5N5O3S/c14-6(10-8-11-12-13-17-8)5-2-1-4(3-9-5)7(15)16/h1-3H,(H,15,16)(H,10,11,13,14)
InChIKeyYSXGBCCFRNRULN-UHFFFAOYSA-N
MW251.23 g/mol
LogP0.28
Rot. Bonds3

About 6-(thiatriazol-5-ylcarbamoyl)pyridine-3-carboxylic acid

6-(thiatriazol-5-ylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 114913629) has the molecular formula C8H5N5O3S and a molecular weight of 251.23 g/mol. Its IUPAC name is 6-(thiatriazol-5-ylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(thiatriazol-5-ylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID114913629
Molecular FormulaC8H5N5O3S
Molecular Weight251.23 g/mol
Exact Mass251.01
IUPAC Name6-(thiatriazol-5-ylcarbamoyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)Nc2nnns2)nc1
InChIInChI=1S/C8H5N5O3S/c14-6(10-8-11-12-13-17-8)5-2-1-4(3-9-5)7(15)16/h1-3H,(H,15,16)(H,10,11,13,14)
InChIKeyYSXGBCCFRNRULN-UHFFFAOYSA-N
XLogP0.28
TPSA117.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-N-(thiatriazol-5-yl)pyrazine-2-carboxamide
CID 107372217
4-tert-butyl-N-(thiatriazol-5-yl)benzamide
CID 19114244
pyridine-2,5-dicarboxylic acid
CID 158970171
6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 62958252
4-bromo-3-chloro-N-(thiatriazol-5-yl)benzamide
CID 114912794
6-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427214
4-chloro-N-(thiatriazol-5-yl)pyridine-3-carboxamide
CID 114912098
6-(1H-pyrrol-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 115116603
6-[(2,4,6-trichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43453105
4-propoxy-N-(thiatriazol-5-yl)benzamide
CID 19114284
4-fluoro-3-(thiatriazol-5-ylcarbamoylamino)benzoic acid
CID 114913467
4-bromo-N-(thiatriazol-5-yl)-3-(trifluoromethyl)benzamide
CID 114912769

Frequently Asked Questions

What is the IUPAC name of 6-(thiatriazol-5-ylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(thiatriazol-5-ylcarbamoyl)pyridine-3-carboxylic acid (CID 114913629) is 6-(thiatriazol-5-ylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(thiatriazol-5-ylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(thiatriazol-5-ylcarbamoyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(C(=O)Nc2nnns2)nc1.
What is the InChIKey of 6-(thiatriazol-5-ylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is YSXGBCCFRNRULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5O3S/c14-6(10-8-11-12-13-17-8)5-2-1-4(3-9-5)7(15)16/h1-3H,(H,15,16)(H,10,11,13,14).
What are the key properties of 6-(thiatriazol-5-ylcarbamoyl)pyridine-3-carboxylic acid?
6-(thiatriazol-5-ylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 251.23 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(thiatriazol-5-ylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 114913629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).