1-[(5-aminothiadiazol-4-yl)methyl]pyridin-4-one

C8H8N4OS — CID 62881026

IUPAC1-[(5-aminothiadiazol-4-yl)methyl]pyridin-4-one
SMILESNc1snnc1Cn1ccc(=O)cc1
InChIInChI=1S/C8H8N4OS/c9-8-7(10-11-14-8)5-12-3-1-6(13)2-4-12/h1-4H,5,9H2
InChIKeyJBZDEQDQCDDNRS-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.33
Rot. Bonds2

About 1-[(5-aminothiadiazol-4-yl)methyl]pyridin-4-one

1-[(5-aminothiadiazol-4-yl)methyl]pyridin-4-one (PubChem CID 62881026) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is 1-[(5-aminothiadiazol-4-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name1-[(5-aminothiadiazol-4-yl)methyl]pyridin-4-one
PubChem CID62881026
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name1-[(5-aminothiadiazol-4-yl)methyl]pyridin-4-one
SMILESNc1snnc1Cn1ccc(=O)cc1
InChIInChI=1S/C8H8N4OS/c9-8-7(10-11-14-8)5-12-3-1-6(13)2-4-12/h1-4H,5,9H2
InChIKeyJBZDEQDQCDDNRS-UHFFFAOYSA-N
XLogP0.33
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(5-aminothiadiazol-4-yl)methyl]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5-aminothiadiazol-4-yl)methyl]pyridin-4-one?
The IUPAC name of 1-[(5-aminothiadiazol-4-yl)methyl]pyridin-4-one (CID 62881026) is 1-[(5-aminothiadiazol-4-yl)methyl]pyridin-4-one.
What is the SMILES notation for 1-[(5-aminothiadiazol-4-yl)methyl]pyridin-4-one?
The canonical SMILES for 1-[(5-aminothiadiazol-4-yl)methyl]pyridin-4-one is Nc1snnc1Cn1ccc(=O)cc1.
What is the InChIKey of 1-[(5-aminothiadiazol-4-yl)methyl]pyridin-4-one?
The InChIKey is JBZDEQDQCDDNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c9-8-7(10-11-14-8)5-12-3-1-6(13)2-4-12/h1-4H,5,9H2.
What are the key properties of 1-[(5-aminothiadiazol-4-yl)methyl]pyridin-4-one?
1-[(5-aminothiadiazol-4-yl)methyl]pyridin-4-one has a molecular weight of 208.25 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-aminothiadiazol-4-yl)methyl]pyridin-4-one is sourced from PubChem (CID 62881026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).