4-(thiadiazol-5-ylcarbamoyl)pyridine-2-carboxylic acid

C9H6N4O3S — CID 114913611

IUPAC4-(thiadiazol-5-ylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(Nc1cnns1)c1ccnc(C(=O)O)c1
InChIInChI=1S/C9H6N4O3S/c14-8(12-7-4-11-13-17-7)5-1-2-10-6(3-5)9(15)16/h1-4H,(H,12,14)(H,15,16)
InChIKeyIOUYKEQTHDZSPF-UHFFFAOYSA-N
MW250.24 g/mol
LogP0.88
Rot. Bonds3

About 4-(thiadiazol-5-ylcarbamoyl)pyridine-2-carboxylic acid

4-(thiadiazol-5-ylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 114913611) has the molecular formula C9H6N4O3S and a molecular weight of 250.24 g/mol. Its IUPAC name is 4-(thiadiazol-5-ylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(thiadiazol-5-ylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID114913611
Molecular FormulaC9H6N4O3S
Molecular Weight250.24 g/mol
Exact Mass250.02
IUPAC Name4-(thiadiazol-5-ylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(Nc1cnns1)c1ccnc(C(=O)O)c1
InChIInChI=1S/C9H6N4O3S/c14-8(12-7-4-11-13-17-7)5-1-2-10-6(3-5)9(15)16/h1-4H,(H,12,14)(H,15,16)
InChIKeyIOUYKEQTHDZSPF-UHFFFAOYSA-N
XLogP0.88
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(thiadiazol-5-yl)pyridine-4-carboxamide
CID 114914190
2-(ethylamino)-N-(thiadiazol-5-yl)pyridine-4-carboxamide
CID 114914267
3-amino-N-(thiadiazol-5-yl)benzamide
CID 114911458
4-[(5-bromo-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid
CID 113384992
4-[(2-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730044
4-(pyridine-4-carbonylamino)pyridine-2-carboxylic acid
CID 63651530
4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730066
5-carbamothioyl-N-(thiadiazol-5-yl)pyridine-2-carboxamide
CID 114912663
hydrazine;pyridine-2,4-dicarboxylic acid
CID 71369189
4-[(2-chloro-4-iodophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 107605941
4-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730089
4-carbonochloridoylpyridine-2-carboxylic acid
CID 156640763

Frequently Asked Questions

What is the IUPAC name of 4-(thiadiazol-5-ylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(thiadiazol-5-ylcarbamoyl)pyridine-2-carboxylic acid (CID 114913611) is 4-(thiadiazol-5-ylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(thiadiazol-5-ylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(thiadiazol-5-ylcarbamoyl)pyridine-2-carboxylic acid is O=C(Nc1cnns1)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-(thiadiazol-5-ylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is IOUYKEQTHDZSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O3S/c14-8(12-7-4-11-13-17-7)5-1-2-10-6(3-5)9(15)16/h1-4H,(H,12,14)(H,15,16).
What are the key properties of 4-(thiadiazol-5-ylcarbamoyl)pyridine-2-carboxylic acid?
4-(thiadiazol-5-ylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 250.24 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiadiazol-5-ylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 114913611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).