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

C5H8N2O2S3 — CID 54306684

IUPAC2-ethylsulfonyl-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCCS(=O)(=O)c1nnc(SC)s1
InChIInChI=1S/C5H8N2O2S3/c1-3-12(8,9)5-7-6-4(10-2)11-5/h3H2,1-2H3
InChIKeySIADZYWJLYFFFS-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.05
Rot. Bonds3

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

2-ethylsulfonyl-5-methylsulfanyl-1,3,4-thiadiazole (PubChem CID 54306684) has the molecular formula C5H8N2O2S3 and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-ethylsulfonyl-5-methylsulfanyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-ethylsulfonyl-5-methylsulfanyl-1,3,4-thiadiazole
PubChem CID54306684
Molecular FormulaC5H8N2O2S3
Molecular Weight224.33 g/mol
Exact Mass223.97
IUPAC Name2-ethylsulfonyl-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCCS(=O)(=O)c1nnc(SC)s1
InChIInChI=1S/C5H8N2O2S3/c1-3-12(8,9)5-7-6-4(10-2)11-5/h3H2,1-2H3
InChIKeySIADZYWJLYFFFS-UHFFFAOYSA-N
XLogP1.05
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-ethylsulfonyl-5-methylsulfanyl-1,3,4-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

2-tert-butylsulfanyl-5-ethylsulfonyl-1,3,4-thiadiazole
CID 57072669
2-ethylsulfonyl-5-propan-2-ylsulfinyl-1,3,4-thiadiazole
CID 12889546
carbamoyl 5-ethylsulfonyl-1,3,4-thiadiazole-2-carboxylate
CID 57192267
2-methylsulfanyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole
CID 89302858
2-ethylsulfonyl-5-pentan-2-ylsulfinyl-1,3,4-thiadiazole
CID 12889547
2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
CID 2821450
2-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 57163484
5-methylsulfanyl-1,3,4-thiadiazole-2-carbothioamide
CID 154577344
5,5-dimethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine
CID 113298607
N-butyl-5-ethylsulfonyl-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 154148953
2-(methoxymethylsulfanyl)-5-methylsulfanyl-1,3,4-thiadiazole
CID 22889812
2-methylsulfanyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole
CID 20588041

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-5-methylsulfanyl-1,3,4-thiadiazole?
The IUPAC name of 2-ethylsulfonyl-5-methylsulfanyl-1,3,4-thiadiazole (CID 54306684) is 2-ethylsulfonyl-5-methylsulfanyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-ethylsulfonyl-5-methylsulfanyl-1,3,4-thiadiazole?
The canonical SMILES for 2-ethylsulfonyl-5-methylsulfanyl-1,3,4-thiadiazole is CCS(=O)(=O)c1nnc(SC)s1.
What is the InChIKey of 2-ethylsulfonyl-5-methylsulfanyl-1,3,4-thiadiazole?
The InChIKey is SIADZYWJLYFFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S3/c1-3-12(8,9)5-7-6-4(10-2)11-5/h3H2,1-2H3.
What are the key properties of 2-ethylsulfonyl-5-methylsulfanyl-1,3,4-thiadiazole?
2-ethylsulfonyl-5-methylsulfanyl-1,3,4-thiadiazole has a molecular weight of 224.33 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-5-methylsulfanyl-1,3,4-thiadiazole is sourced from PubChem (CID 54306684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).