1-[(5-aminothiadiazol-4-yl)methyl]-5-bromopyridin-2-one

C8H7BrN4OS — CID 62207133

IUPAC1-[(5-aminothiadiazol-4-yl)methyl]-5-bromopyridin-2-one
SMILESNc1snnc1Cn1cc(Br)ccc1=O
InChIInChI=1S/C8H7BrN4OS/c9-5-1-2-7(14)13(3-5)4-6-8(10)15-12-11-6/h1-3H,4,10H2
InChIKeyBXYLRYFLHKTKHK-UHFFFAOYSA-N
MW287.14 g/mol
LogP1.09
Rot. Bonds2

About 1-[(5-aminothiadiazol-4-yl)methyl]-5-bromopyridin-2-one

1-[(5-aminothiadiazol-4-yl)methyl]-5-bromopyridin-2-one (PubChem CID 62207133) has the molecular formula C8H7BrN4OS and a molecular weight of 287.14 g/mol. Its IUPAC name is 1-[(5-aminothiadiazol-4-yl)methyl]-5-bromopyridin-2-one.

Molecular Properties

Compound Name1-[(5-aminothiadiazol-4-yl)methyl]-5-bromopyridin-2-one
PubChem CID62207133
Molecular FormulaC8H7BrN4OS
Molecular Weight287.14 g/mol
Exact Mass285.95
IUPAC Name1-[(5-aminothiadiazol-4-yl)methyl]-5-bromopyridin-2-one
SMILESNc1snnc1Cn1cc(Br)ccc1=O
InChIInChI=1S/C8H7BrN4OS/c9-5-1-2-7(14)13(3-5)4-6-8(10)15-12-11-6/h1-3H,4,10H2
InChIKeyBXYLRYFLHKTKHK-UHFFFAOYSA-N
XLogP1.09
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-aminothiadiazol-4-yl)methyl]-5-bromopyridin-2-one?
The IUPAC name of 1-[(5-aminothiadiazol-4-yl)methyl]-5-bromopyridin-2-one (CID 62207133) is 1-[(5-aminothiadiazol-4-yl)methyl]-5-bromopyridin-2-one.
What is the SMILES notation for 1-[(5-aminothiadiazol-4-yl)methyl]-5-bromopyridin-2-one?
The canonical SMILES for 1-[(5-aminothiadiazol-4-yl)methyl]-5-bromopyridin-2-one is Nc1snnc1Cn1cc(Br)ccc1=O.
What is the InChIKey of 1-[(5-aminothiadiazol-4-yl)methyl]-5-bromopyridin-2-one?
The InChIKey is BXYLRYFLHKTKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4OS/c9-5-1-2-7(14)13(3-5)4-6-8(10)15-12-11-6/h1-3H,4,10H2.
What are the key properties of 1-[(5-aminothiadiazol-4-yl)methyl]-5-bromopyridin-2-one?
1-[(5-aminothiadiazol-4-yl)methyl]-5-bromopyridin-2-one has a molecular weight of 287.14 g/mol, XLogP of 1.09, 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]-5-bromopyridin-2-one is sourced from PubChem (CID 62207133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).