5-methyl-3-(methylsulfinylmethyl)-1,2,4-thiadiazole

C5H8N2OS2 — CID 142566170

IUPAC5-methyl-3-(methylsulfinylmethyl)-1,2,4-thiadiazole
SMILESCc1nc(CS(C)=O)ns1
InChIInChI=1S/C5H8N2OS2/c1-4-6-5(7-9-4)3-10(2)8/h3H2,1-2H3
InChIKeyXRZVHYFENOFFPZ-UHFFFAOYSA-N
MW176.27 g/mol
LogP0.73
Rot. Bonds2

About 5-methyl-3-(methylsulfinylmethyl)-1,2,4-thiadiazole

5-methyl-3-(methylsulfinylmethyl)-1,2,4-thiadiazole (PubChem CID 142566170) has the molecular formula C5H8N2OS2 and a molecular weight of 176.27 g/mol. Its IUPAC name is 5-methyl-3-(methylsulfinylmethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-methyl-3-(methylsulfinylmethyl)-1,2,4-thiadiazole
PubChem CID142566170
Molecular FormulaC5H8N2OS2
Molecular Weight176.27 g/mol
Exact Mass176.01
IUPAC Name5-methyl-3-(methylsulfinylmethyl)-1,2,4-thiadiazole
SMILESCc1nc(CS(C)=O)ns1
InChIInChI=1S/C5H8N2OS2/c1-4-6-5(7-9-4)3-10(2)8/h3H2,1-2H3
InChIKeyXRZVHYFENOFFPZ-UHFFFAOYSA-N
XLogP0.73
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.27
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-methyl-3-(methylsulfinylmethyl)-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

Related Compounds

(5-Methyl-1,2,4-thiadiazol-3-yl)methanethiol
CID 20699673
5-(Ethylsulfonylmethyl)-3-methyl-1,2,4-thiadiazole
CID 21031012
3-Ethylsulfanyl-5-methyl-1,2,4-thiadiazole
CID 21052294
5-Ethylsulfanyl-3-methyl-1,2,4-thiadiazole
CID 54555011
(3-Methyl-1,2,4-thiadiazol-5-yl)methanethiol
CID 57260787
5-Methyl-3-propan-2-ylsulfanyl-1,2,4-thiadiazole
CID 58663760
3-Methyl-5-(tritiosulfonylmethyl)-1,2,4-thiadiazole
CID 58665798
3-Methyl-5-(methylsulfonylmethyl)-1,2,4-thiadiazole
CID 69436140
Hydroxy-methyl-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]-oxo-lambda6-sulfane
CID 91359176
3-Methyl-5-(methylsulfanylmethyl)-1,2,4-thiadiazole
CID 142565941
3-Methyl-5-(methylsulfinylmethyl)-1,2,4-thiadiazole
CID 142565991
3-Methyl-5-(2-methylsulfinylethyl)-1,2,4-thiadiazole
CID 142565992

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(methylsulfinylmethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-methyl-3-(methylsulfinylmethyl)-1,2,4-thiadiazole (CID 142566170) is 5-methyl-3-(methylsulfinylmethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-methyl-3-(methylsulfinylmethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-methyl-3-(methylsulfinylmethyl)-1,2,4-thiadiazole is Cc1nc(CS(C)=O)ns1.
What is the InChIKey of 5-methyl-3-(methylsulfinylmethyl)-1,2,4-thiadiazole?
The InChIKey is XRZVHYFENOFFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS2/c1-4-6-5(7-9-4)3-10(2)8/h3H2,1-2H3.
What are the key properties of 5-methyl-3-(methylsulfinylmethyl)-1,2,4-thiadiazole?
5-methyl-3-(methylsulfinylmethyl)-1,2,4-thiadiazole has a molecular weight of 176.27 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(methylsulfinylmethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 142566170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).