1-[(5-aminothiadiazol-4-yl)methyl]-6-methylpyridin-2-one

C9H10N4OS — CID 62208026

IUPAC1-[(5-aminothiadiazol-4-yl)methyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1Cc1nnsc1N
InChIInChI=1S/C9H10N4OS/c1-6-3-2-4-8(14)13(6)5-7-9(10)15-12-11-7/h2-4H,5,10H2,1H3
InChIKeyUSAOFKNXJJXFCE-UHFFFAOYSA-N
MW222.27 g/mol
LogP0.64
Rot. Bonds2

About 1-[(5-aminothiadiazol-4-yl)methyl]-6-methylpyridin-2-one

1-[(5-aminothiadiazol-4-yl)methyl]-6-methylpyridin-2-one (PubChem CID 62208026) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 1-[(5-aminothiadiazol-4-yl)methyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(5-aminothiadiazol-4-yl)methyl]-6-methylpyridin-2-one
PubChem CID62208026
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name1-[(5-aminothiadiazol-4-yl)methyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1Cc1nnsc1N
InChIInChI=1S/C9H10N4OS/c1-6-3-2-4-8(14)13(6)5-7-9(10)15-12-11-7/h2-4H,5,10H2,1H3
InChIKeyUSAOFKNXJJXFCE-UHFFFAOYSA-N
XLogP0.64
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.64
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]-6-methylpyridin-2-one?
The IUPAC name of 1-[(5-aminothiadiazol-4-yl)methyl]-6-methylpyridin-2-one (CID 62208026) is 1-[(5-aminothiadiazol-4-yl)methyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[(5-aminothiadiazol-4-yl)methyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-[(5-aminothiadiazol-4-yl)methyl]-6-methylpyridin-2-one is Cc1cccc(=O)n1Cc1nnsc1N.
What is the InChIKey of 1-[(5-aminothiadiazol-4-yl)methyl]-6-methylpyridin-2-one?
The InChIKey is USAOFKNXJJXFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-6-3-2-4-8(14)13(6)5-7-9(10)15-12-11-7/h2-4H,5,10H2,1H3.
What are the key properties of 1-[(5-aminothiadiazol-4-yl)methyl]-6-methylpyridin-2-one?
1-[(5-aminothiadiazol-4-yl)methyl]-6-methylpyridin-2-one has a molecular weight of 222.27 g/mol, XLogP of 0.64, 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]-6-methylpyridin-2-one is sourced from PubChem (CID 62208026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).