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

C6H10N2OS2 — CID 142565992

IUPAC3-methyl-5-(2-methylsulfinylethyl)-1,2,4-thiadiazole
SMILESCc1nsc(CCS(C)=O)n1
InChIInChI=1S/C6H10N2OS2/c1-5-7-6(10-8-5)3-4-11(2)9/h3-4H2,1-2H3
InChIKeyKIPUMBMHUWQETN-UHFFFAOYSA-N
MW190.29 g/mol
LogP0.77
Rot. Bonds3

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

3-methyl-5-(2-methylsulfinylethyl)-1,2,4-thiadiazole (PubChem CID 142565992) has the molecular formula C6H10N2OS2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-methyl-5-(2-methylsulfinylethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-(2-methylsulfinylethyl)-1,2,4-thiadiazole
PubChem CID142565992
Molecular FormulaC6H10N2OS2
Molecular Weight190.29 g/mol
Exact Mass190.02
IUPAC Name3-methyl-5-(2-methylsulfinylethyl)-1,2,4-thiadiazole
SMILESCc1nsc(CCS(C)=O)n1
InChIInChI=1S/C6H10N2OS2/c1-5-7-6(10-8-5)3-4-11(2)9/h3-4H2,1-2H3
InChIKeyKIPUMBMHUWQETN-UHFFFAOYSA-N
XLogP0.77
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-5-(2-methylsulfinylethyl)-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 3-methyl-5-(2-methylsulfinylethyl)-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-(2-methylsulfinylethyl)-1,2,4-thiadiazole (CID 142565992) is 3-methyl-5-(2-methylsulfinylethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-(2-methylsulfinylethyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-(2-methylsulfinylethyl)-1,2,4-thiadiazole is Cc1nsc(CCS(C)=O)n1.
What is the InChIKey of 3-methyl-5-(2-methylsulfinylethyl)-1,2,4-thiadiazole?
The InChIKey is KIPUMBMHUWQETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS2/c1-5-7-6(10-8-5)3-4-11(2)9/h3-4H2,1-2H3.
What are the key properties of 3-methyl-5-(2-methylsulfinylethyl)-1,2,4-thiadiazole?
3-methyl-5-(2-methylsulfinylethyl)-1,2,4-thiadiazole has a molecular weight of 190.29 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylsulfinylethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 142565992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).