5-ethylsulfonyl-3-methyl-1,2,4-thiadiazole

C5H8N2O2S2 — CID 158540753

IUPAC5-ethylsulfonyl-3-methyl-1,2,4-thiadiazole
SMILESCCS(=O)(=O)c1nc(C)ns1
InChIInChI=1S/C5H8N2O2S2/c1-3-11(8,9)5-6-4(2)7-10-5/h3H2,1-2H3
InChIKeyHOMIBZWPGVCGQN-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.64
Rot. Bonds2

About 5-ethylsulfonyl-3-methyl-1,2,4-thiadiazole

5-ethylsulfonyl-3-methyl-1,2,4-thiadiazole (PubChem CID 158540753) has the molecular formula C5H8N2O2S2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-ethylsulfonyl-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-ethylsulfonyl-3-methyl-1,2,4-thiadiazole
PubChem CID158540753
Molecular FormulaC5H8N2O2S2
Molecular Weight192.26 g/mol
Exact Mass192.00
IUPAC Name5-ethylsulfonyl-3-methyl-1,2,4-thiadiazole
SMILESCCS(=O)(=O)c1nc(C)ns1
InChIInChI=1S/C5H8N2O2S2/c1-3-11(8,9)5-6-4(2)7-10-5/h3H2,1-2H3
InChIKeyHOMIBZWPGVCGQN-UHFFFAOYSA-N
XLogP0.64
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyl-5-methylsulfonyl-1,2,4-thiadiazole
CID 181553
5-Ethylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 163588582
5-Ethylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 163871675
5-Propan-2-ylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 163875250
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanesulfonyl chloride
CID 107305846
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfonyl]ethanesulfonyl chloride
CID 107305847
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanesulfonamide
CID 107305851
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfonyl]ethanesulfonamide
CID 107305852
5-(Ethylsulfonylmethyl)-3-methyl-1,2,4-thiadiazole
CID 21031012
2-[(3-Methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanethial
CID 54159040
5-Ethylsulfanyl-3-methyl-1,2,4-thiadiazole
CID 54555011
5-Methyl-3-methylsulfonyl-1,2,4-thiadiazole
CID 59109663

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-ethylsulfonyl-3-methyl-1,2,4-thiadiazole (CID 158540753) is 5-ethylsulfonyl-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-ethylsulfonyl-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-ethylsulfonyl-3-methyl-1,2,4-thiadiazole is CCS(=O)(=O)c1nc(C)ns1.
What is the InChIKey of 5-ethylsulfonyl-3-methyl-1,2,4-thiadiazole?
The InChIKey is HOMIBZWPGVCGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S2/c1-3-11(8,9)5-6-4(2)7-10-5/h3H2,1-2H3.
What are the key properties of 5-ethylsulfonyl-3-methyl-1,2,4-thiadiazole?
5-ethylsulfonyl-3-methyl-1,2,4-thiadiazole has a molecular weight of 192.26 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 158540753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).