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

C6H10N2O2S2 — CID 142566356

IUPAC3-methyl-5-(2-methylsulfonylethyl)-1,2,4-thiadiazole
SMILESCc1nsc(CCS(C)(=O)=O)n1
InChIInChI=1S/C6H10N2O2S2/c1-5-7-6(11-8-5)3-4-12(2,9)10/h3-4H2,1-2H3
InChIKeyANZWXGRTKHZDNE-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.43
Rot. Bonds3

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

3-methyl-5-(2-methylsulfonylethyl)-1,2,4-thiadiazole (PubChem CID 142566356) has the molecular formula C6H10N2O2S2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-methyl-5-(2-methylsulfonylethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-(2-methylsulfonylethyl)-1,2,4-thiadiazole
PubChem CID142566356
Molecular FormulaC6H10N2O2S2
Molecular Weight206.29 g/mol
Exact Mass206.02
IUPAC Name3-methyl-5-(2-methylsulfonylethyl)-1,2,4-thiadiazole
SMILESCc1nsc(CCS(C)(=O)=O)n1
InChIInChI=1S/C6H10N2O2S2/c1-5-7-6(11-8-5)3-4-12(2,9)10/h3-4H2,1-2H3
InChIKeyANZWXGRTKHZDNE-UHFFFAOYSA-N
XLogP0.43
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Ethylsulfonylmethyl)-3-methyl-1,2,4-thiadiazole
CID 21031012
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-Ethyl-5-ethylsulfonyl-1,2,4-thiadiazole
CID 126996216
3-Methyl-5-(methylsulfinylmethyl)-1,2,4-thiadiazole
CID 142565991
3-Methyl-5-(2-methylsulfinylethyl)-1,2,4-thiadiazole
CID 142565992
5-Methyl-3-(2-methylsulfinylethyl)-1,2,4-thiadiazole
CID 142566068
5-Methyl-3-(2-methylsulfanylethyl)-1,2,4-thiadiazole
CID 142566167
5-Methyl-3-(methylsulfinylmethyl)-1,2,4-thiadiazole
CID 142566170
3-Methyl-5-(2-methylsulfanylethyl)-1,2,4-thiadiazole
CID 142566276
5-Ethylsulfonyl-3-methyl-1,2,4-thiadiazole
CID 158540753

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylsulfonylethyl)-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-(2-methylsulfonylethyl)-1,2,4-thiadiazole (CID 142566356) is 3-methyl-5-(2-methylsulfonylethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-(2-methylsulfonylethyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-(2-methylsulfonylethyl)-1,2,4-thiadiazole is Cc1nsc(CCS(C)(=O)=O)n1.
What is the InChIKey of 3-methyl-5-(2-methylsulfonylethyl)-1,2,4-thiadiazole?
The InChIKey is ANZWXGRTKHZDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S2/c1-5-7-6(11-8-5)3-4-12(2,9)10/h3-4H2,1-2H3.
What are the key properties of 3-methyl-5-(2-methylsulfonylethyl)-1,2,4-thiadiazole?
3-methyl-5-(2-methylsulfonylethyl)-1,2,4-thiadiazole has a molecular weight of 206.29 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylsulfonylethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 142566356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).