2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide

C5H10N4O2S2 — CID 65268209

IUPAC2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide
SMILESCc1nsc(NCCS(N)(=O)=O)n1
InChIInChI=1S/C5H10N4O2S2/c1-4-8-5(12-9-4)7-2-3-13(6,10)11/h2-3H2,1H3,(H2,6,10,11)(H,7,8,9)
InChIKeyOVECIZDRKPVJHW-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.45
Rot. Bonds4

About 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide

2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide (PubChem CID 65268209) has the molecular formula C5H10N4O2S2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide
PubChem CID65268209
Molecular FormulaC5H10N4O2S2
Molecular Weight222.29 g/mol
Exact Mass222.02
IUPAC Name2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide
SMILESCc1nsc(NCCS(N)(=O)=O)n1
InChIInChI=1S/C5H10N4O2S2/c1-4-8-5(12-9-4)7-2-3-13(6,10)11/h2-3H2,1H3,(H2,6,10,11)(H,7,8,9)
InChIKeyOVECIZDRKPVJHW-UHFFFAOYSA-N
XLogP-0.45
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-(2-Methylpropyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide
CID 132351371
N-(2-ethylsulfonylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105779862
N-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide
CID 106337790
N,N-dimethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide
CID 106338946
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide
CID 107304722
N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304751
N-(3-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304786
3-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1-sulfonamide
CID 107304881
N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304992
N-(2-methylsulfinylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305149
N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide
CID 107385501
N-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]methanesulfonamide
CID 113943923

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide (CID 65268209) is 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide is Cc1nsc(NCCS(N)(=O)=O)n1.
What is the InChIKey of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide?
The InChIKey is OVECIZDRKPVJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O2S2/c1-4-8-5(12-9-4)7-2-3-13(6,10)11/h2-3H2,1H3,(H2,6,10,11)(H,7,8,9).
What are the key properties of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide?
2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide has a molecular weight of 222.29 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide is sourced from PubChem (CID 65268209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).