4-pyridin-3-yl-1,2,5-thiadiazol-3-one

C7H5N3OS — CID 70007227

IUPAC4-pyridin-3-yl-1,2,5-thiadiazol-3-one
SMILESO=c1[nH]snc1-c1cccnc1
InChIInChI=1S/C7H5N3OS/c11-7-6(9-12-10-7)5-2-1-3-8-4-5/h1-4H,(H,10,11)
InChIKeyHGHMNWJAHYFKEU-UHFFFAOYSA-N
MW179.20 g/mol
LogP0.89
Rot. Bonds1

About 4-pyridin-3-yl-1,2,5-thiadiazol-3-one

4-pyridin-3-yl-1,2,5-thiadiazol-3-one (PubChem CID 70007227) has the molecular formula C7H5N3OS and a molecular weight of 179.20 g/mol. Its IUPAC name is 4-pyridin-3-yl-1,2,5-thiadiazol-3-one.

Molecular Properties

Compound Name4-pyridin-3-yl-1,2,5-thiadiazol-3-one
PubChem CID70007227
Molecular FormulaC7H5N3OS
Molecular Weight179.20 g/mol
Exact Mass179.02
IUPAC Name4-pyridin-3-yl-1,2,5-thiadiazol-3-one
SMILESO=c1[nH]snc1-c1cccnc1
InChIInChI=1S/C7H5N3OS/c11-7-6(9-12-10-7)5-2-1-3-8-4-5/h1-4H,(H,10,11)
InChIKeyHGHMNWJAHYFKEU-UHFFFAOYSA-N
XLogP0.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-bromo-4-pyridin-3-yl-1H-pyrimidin-6-one
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cyclopenta[c]azepine
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2H-pyrrolo[3,4-c]azepin-1-one
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7-fluoro-4-pyridin-3-yl-2H-phthalazin-1-one
CID 139838501
3-azulen-6-ylpyridine
CID 86232079
3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine
CID 160628601
2,6-dipyridin-3-ylpyridine
CID 13349632
3-[5-[5-[5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]pyridine
CID 102393188
3-pyridin-3-yl-1H-pyridazin-6-one;hydrochloride
CID 126796349
5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride
CID 155294297
3-(5-ethyl-1H-imidazol-4-yl)pyridine
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2-methyl-4-pyridin-3-yl-1H-pyrazol-5-one
CID 88992596

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-1,2,5-thiadiazol-3-one?
The IUPAC name of 4-pyridin-3-yl-1,2,5-thiadiazol-3-one (CID 70007227) is 4-pyridin-3-yl-1,2,5-thiadiazol-3-one.
What is the SMILES notation for 4-pyridin-3-yl-1,2,5-thiadiazol-3-one?
The canonical SMILES for 4-pyridin-3-yl-1,2,5-thiadiazol-3-one is O=c1[nH]snc1-c1cccnc1.
What is the InChIKey of 4-pyridin-3-yl-1,2,5-thiadiazol-3-one?
The InChIKey is HGHMNWJAHYFKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3OS/c11-7-6(9-12-10-7)5-2-1-3-8-4-5/h1-4H,(H,10,11).
What are the key properties of 4-pyridin-3-yl-1,2,5-thiadiazol-3-one?
4-pyridin-3-yl-1,2,5-thiadiazol-3-one has a molecular weight of 179.20 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-1,2,5-thiadiazol-3-one is sourced from PubChem (CID 70007227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).