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

C10H12N4OS — CID 60942290

IUPAC1-ethyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one
SMILESCCn1cc(NCc2csnn2)ccc1=O
InChIInChI=1S/C10H12N4OS/c1-2-14-6-8(3-4-10(14)15)11-5-9-7-16-13-12-9/h3-4,6-7,11H,2,5H2,1H3
InChIKeyJPADSEARPXECKW-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.33
Rot. Bonds4

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

1-ethyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one (PubChem CID 60942290) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-ethyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one
PubChem CID60942290
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name1-ethyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one
SMILESCCn1cc(NCc2csnn2)ccc1=O
InChIInChI=1S/C10H12N4OS/c1-2-14-6-8(3-4-10(14)15)11-5-9-7-16-13-12-9/h3-4,6-7,11H,2,5H2,1H3
InChIKeyJPADSEARPXECKW-UHFFFAOYSA-N
XLogP1.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one?
The IUPAC name of 1-ethyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one (CID 60942290) is 1-ethyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one.
What is the SMILES notation for 1-ethyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one?
The canonical SMILES for 1-ethyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one is CCn1cc(NCc2csnn2)ccc1=O.
What is the InChIKey of 1-ethyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one?
The InChIKey is JPADSEARPXECKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-2-14-6-8(3-4-10(14)15)11-5-9-7-16-13-12-9/h3-4,6-7,11H,2,5H2,1H3.
What are the key properties of 1-ethyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one?
1-ethyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one has a molecular weight of 236.30 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one is sourced from PubChem (CID 60942290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).