5-methyl-1,2,4-thiadiazole

C3H4N2S — CID 21258632

IUPAC5-methyl-1,2,4-thiadiazole
SMILESCc1ncns1
InChIInChI=1S/C3H4N2S/c1-3-4-2-5-6-3/h2H,1H3
InChIKeyQLXOJLUHWBDVKZ-UHFFFAOYSA-N
MW100.15 g/mol
LogP0.85
Rot. Bonds

About 5-methyl-1,2,4-thiadiazole

5-methyl-1,2,4-thiadiazole (PubChem CID 21258632) has the molecular formula C3H4N2S and a molecular weight of 100.15 g/mol. Its IUPAC name is 5-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-methyl-1,2,4-thiadiazole
PubChem CID21258632
Molecular FormulaC3H4N2S
Molecular Weight100.15 g/mol
Exact Mass100.01
IUPAC Name5-methyl-1,2,4-thiadiazole
SMILESCc1ncns1
InChIInChI=1S/C3H4N2S/c1-3-4-2-5-6-3/h2H,1H3
InChIKeyQLXOJLUHWBDVKZ-UHFFFAOYSA-N
XLogP0.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.15
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methyl-1,2,4-thiadiazole 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-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-methyl-1,2,4-thiadiazole (CID 21258632) is 5-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-methyl-1,2,4-thiadiazole is Cc1ncns1.
What is the InChIKey of 5-methyl-1,2,4-thiadiazole?
The InChIKey is QLXOJLUHWBDVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2S/c1-3-4-2-5-6-3/h2H,1H3.
What are the key properties of 5-methyl-1,2,4-thiadiazole?
5-methyl-1,2,4-thiadiazole has a molecular weight of 100.15 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 21258632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).