1-(thiadiazol-4-ylmethyl)pyridin-4-one

C8H7N3OS — CID 130549930

IUPAC1-(thiadiazol-4-ylmethyl)pyridin-4-one
SMILESO=c1ccn(Cc2csnn2)cc1
InChIInChI=1S/C8H7N3OS/c12-8-1-3-11(4-2-8)5-7-6-13-10-9-7/h1-4,6H,5H2
InChIKeyQVKSTMBTLONCEE-UHFFFAOYSA-N
MW193.23 g/mol
LogP0.75
Rot. Bonds2

About 1-(thiadiazol-4-ylmethyl)pyridin-4-one

1-(thiadiazol-4-ylmethyl)pyridin-4-one (PubChem CID 130549930) has the molecular formula C8H7N3OS and a molecular weight of 193.23 g/mol. Its IUPAC name is 1-(thiadiazol-4-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name1-(thiadiazol-4-ylmethyl)pyridin-4-one
PubChem CID130549930
Molecular FormulaC8H7N3OS
Molecular Weight193.23 g/mol
Exact Mass193.03
IUPAC Name1-(thiadiazol-4-ylmethyl)pyridin-4-one
SMILESO=c1ccn(Cc2csnn2)cc1
InChIInChI=1S/C8H7N3OS/c12-8-1-3-11(4-2-8)5-7-6-13-10-9-7/h1-4,6H,5H2
InChIKeyQVKSTMBTLONCEE-UHFFFAOYSA-N
XLogP0.75
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(thiadiazol-4-ylmethyl)pyridin-4-one?
The IUPAC name of 1-(thiadiazol-4-ylmethyl)pyridin-4-one (CID 130549930) is 1-(thiadiazol-4-ylmethyl)pyridin-4-one.
What is the SMILES notation for 1-(thiadiazol-4-ylmethyl)pyridin-4-one?
The canonical SMILES for 1-(thiadiazol-4-ylmethyl)pyridin-4-one is O=c1ccn(Cc2csnn2)cc1.
What is the InChIKey of 1-(thiadiazol-4-ylmethyl)pyridin-4-one?
The InChIKey is QVKSTMBTLONCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS/c12-8-1-3-11(4-2-8)5-7-6-13-10-9-7/h1-4,6H,5H2.
What are the key properties of 1-(thiadiazol-4-ylmethyl)pyridin-4-one?
1-(thiadiazol-4-ylmethyl)pyridin-4-one has a molecular weight of 193.23 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiadiazol-4-ylmethyl)pyridin-4-one is sourced from PubChem (CID 130549930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).