4-(1,2,4-thiadiazol-5-ylsulfanyl)pyridine-2-carboxylic acid

C8H5N3O2S2 — CID 79554396

IUPAC4-(1,2,4-thiadiazol-5-ylsulfanyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Sc2ncns2)ccn1
InChIInChI=1S/C8H5N3O2S2/c12-7(13)6-3-5(1-2-9-6)14-8-10-4-11-15-8/h1-4H,(H,12,13)
InChIKeyQEARSRJIOZSGDU-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.78
Rot. Bonds3

About 4-(1,2,4-thiadiazol-5-ylsulfanyl)pyridine-2-carboxylic acid

4-(1,2,4-thiadiazol-5-ylsulfanyl)pyridine-2-carboxylic acid (PubChem CID 79554396) has the molecular formula C8H5N3O2S2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-(1,2,4-thiadiazol-5-ylsulfanyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1,2,4-thiadiazol-5-ylsulfanyl)pyridine-2-carboxylic acid
PubChem CID79554396
Molecular FormulaC8H5N3O2S2
Molecular Weight239.28 g/mol
Exact Mass238.98
IUPAC Name4-(1,2,4-thiadiazol-5-ylsulfanyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Sc2ncns2)ccn1
InChIInChI=1S/C8H5N3O2S2/c12-7(13)6-3-5(1-2-9-6)14-8-10-4-11-15-8/h1-4H,(H,12,13)
InChIKeyQEARSRJIOZSGDU-UHFFFAOYSA-N
XLogP1.78
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,2,4-thiadiazol-5-ylsulfanyl)benzoic acid
CID 65272560
4-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]pyridine-2-carboxylic acid
CID 79554566
4-[(4-methyl-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid
CID 79554477
4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-2-carboxylic acid
CID 63736937
4-(6-methylpyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid
CID 79554237
4-(trifluoromethylsulfanyl)pyridine-2-carboxylic acid
CID 79554205
4-(5-methylpyrimidin-2-yl)sulfanylpyridine-2-carboxylic acid
CID 61382658
4-(4-tert-butylphenyl)sulfanylpyridine-2-carboxylic acid
CID 43330711
4-(2-chloro-4-cyanophenyl)sulfanylpyridine-2-carboxylic acid
CID 79554643
5-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)benzoic acid
CID 114896284
4-(4-cyano-2,6-difluorophenyl)sulfanylpyridine-2-carboxylic acid
CID 81294635
4-pyridazin-3-ylsulfanylpyridine-2-carboxylic acid
CID 79554069

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-thiadiazol-5-ylsulfanyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(1,2,4-thiadiazol-5-ylsulfanyl)pyridine-2-carboxylic acid (CID 79554396) is 4-(1,2,4-thiadiazol-5-ylsulfanyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(1,2,4-thiadiazol-5-ylsulfanyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(1,2,4-thiadiazol-5-ylsulfanyl)pyridine-2-carboxylic acid is O=C(O)c1cc(Sc2ncns2)ccn1.
What is the InChIKey of 4-(1,2,4-thiadiazol-5-ylsulfanyl)pyridine-2-carboxylic acid?
The InChIKey is QEARSRJIOZSGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O2S2/c12-7(13)6-3-5(1-2-9-6)14-8-10-4-11-15-8/h1-4H,(H,12,13).
What are the key properties of 4-(1,2,4-thiadiazol-5-ylsulfanyl)pyridine-2-carboxylic acid?
4-(1,2,4-thiadiazol-5-ylsulfanyl)pyridine-2-carboxylic acid has a molecular weight of 239.28 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-thiadiazol-5-ylsulfanyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 79554396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).