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

C6H9F3N4O2S2 — CID 106337790

IUPACN-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide
SMILESCNS(=O)(=O)CCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C6H9F3N4O2S2/c1-10-17(14,15)3-2-11-5-12-4(13-16-5)6(7,8)9/h10H,2-3H2,1H3,(H,11,12,13)
InChIKeyXYWGTLOTMIJKHY-UHFFFAOYSA-N
MW290.29 g/mol
LogP0.52
Rot. Bonds5

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

N-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide (PubChem CID 106337790) has the molecular formula C6H9F3N4O2S2 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide
PubChem CID106337790
Molecular FormulaC6H9F3N4O2S2
Molecular Weight290.29 g/mol
Exact Mass290.01
IUPAC NameN-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide
SMILESCNS(=O)(=O)CCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C6H9F3N4O2S2/c1-10-17(14,15)3-2-11-5-12-4(13-16-5)6(7,8)9/h10H,2-3H2,1H3,(H,11,12,13)
InChIKeyXYWGTLOTMIJKHY-UHFFFAOYSA-N
XLogP0.52
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 103894459
N-(2-ethylsulfonylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105779862
N,N-dimethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide
CID 106338946
N-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304675
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-ethyl-N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide
CID 107304781
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-[2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-yl]methanesulfonamide
CID 107304962
N-(2-methylsulfanylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304965
N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304992

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide?
The IUPAC name of N-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide (CID 106337790) is N-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide.
What is the SMILES notation for N-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide?
The canonical SMILES for N-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide is CNS(=O)(=O)CCNc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide?
The InChIKey is XYWGTLOTMIJKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4O2S2/c1-10-17(14,15)3-2-11-5-12-4(13-16-5)6(7,8)9/h10H,2-3H2,1H3,(H,11,12,13).
What are the key properties of N-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide?
N-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide has a molecular weight of 290.29 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide is sourced from PubChem (CID 106337790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).