1-methyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one

C9H10N4OS — CID 60931844

IUPAC1-methyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one
SMILESCn1cc(NCc2csnn2)ccc1=O
InChIInChI=1S/C9H10N4OS/c1-13-5-7(2-3-9(13)14)10-4-8-6-15-12-11-8/h2-3,5-6,10H,4H2,1H3
InChIKeyDLGHDXORRANOLW-UHFFFAOYSA-N
MW222.27 g/mol
LogP0.85
Rot. Bonds3

About 1-methyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one

1-methyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one (PubChem CID 60931844) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 1-methyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one
PubChem CID60931844
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name1-methyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one
SMILESCn1cc(NCc2csnn2)ccc1=O
InChIInChI=1S/C9H10N4OS/c1-13-5-7(2-3-9(13)14)10-4-8-6-15-12-11-8/h2-3,5-6,10H,4H2,1H3
InChIKeyDLGHDXORRANOLW-UHFFFAOYSA-N
XLogP0.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one?
The IUPAC name of 1-methyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one (CID 60931844) is 1-methyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one.
What is the SMILES notation for 1-methyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one?
The canonical SMILES for 1-methyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one is Cn1cc(NCc2csnn2)ccc1=O.
What is the InChIKey of 1-methyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one?
The InChIKey is DLGHDXORRANOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-13-5-7(2-3-9(13)14)10-4-8-6-15-12-11-8/h2-3,5-6,10H,4H2,1H3.
What are the key properties of 1-methyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one?
1-methyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one has a molecular weight of 222.27 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one is sourced from PubChem (CID 60931844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).