5-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one

C8H7N3OS — CID 137287503

IUPAC5-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one
SMILESCc1nnc(-c2ccc(=O)[nH]c2)s1
InChIInChI=1S/C8H7N3OS/c1-5-10-11-8(13-5)6-2-3-7(12)9-4-6/h2-4H,1H3,(H,9,12)
InChIKeyJEXCGYYLOFLKIE-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.20
Rot. Bonds1

About 5-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one

5-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one (PubChem CID 137287503) has the molecular formula C8H7N3OS and a molecular weight of 193.23 g/mol. Its IUPAC name is 5-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one
PubChem CID137287503
Molecular FormulaC8H7N3OS
Molecular Weight193.23 g/mol
Exact Mass193.03
IUPAC Name5-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one
SMILESCc1nnc(-c2ccc(=O)[nH]c2)s1
InChIInChI=1S/C8H7N3OS/c1-5-10-11-8(13-5)6-2-3-7(12)9-4-6/h2-4H,1H3,(H,9,12)
InChIKeyJEXCGYYLOFLKIE-UHFFFAOYSA-N
XLogP1.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-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 5-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one (CID 137287503) is 5-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one is Cc1nnc(-c2ccc(=O)[nH]c2)s1.
What is the InChIKey of 5-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one?
The InChIKey is JEXCGYYLOFLKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS/c1-5-10-11-8(13-5)6-2-3-7(12)9-4-6/h2-4H,1H3,(H,9,12).
What are the key properties of 5-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one?
5-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one has a molecular weight of 193.23 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 137287503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).