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

C5H7F3N4O2S2 — CID 107304722

IUPAC2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C5H7F3N4O2S2/c6-5(7,8)3-11-4(15-12-3)10-1-2-16(9,13)14/h1-2H2,(H2,9,13,14)(H,10,11,12)
InChIKeyZQEZZISBDCDBTQ-UHFFFAOYSA-N
MW276.27 g/mol
LogP0.26
Rot. Bonds4

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

2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide (PubChem CID 107304722) has the molecular formula C5H7F3N4O2S2 and a molecular weight of 276.27 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide
PubChem CID107304722
Molecular FormulaC5H7F3N4O2S2
Molecular Weight276.27 g/mol
Exact Mass276.00
IUPAC Name2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C5H7F3N4O2S2/c6-5(7,8)3-11-4(15-12-3)10-1-2-16(9,13)14/h1-2H2,(H2,9,13,14)(H,10,11,12)
InChIKeyZQEZZISBDCDBTQ-UHFFFAOYSA-N
XLogP0.26
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide?
The IUPAC name of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide (CID 107304722) is 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide.
What is the SMILES notation for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide?
The canonical SMILES for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide is NS(=O)(=O)CCNc1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide?
The InChIKey is ZQEZZISBDCDBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N4O2S2/c6-5(7,8)3-11-4(15-12-3)10-1-2-16(9,13)14/h1-2H2,(H2,9,13,14)(H,10,11,12).
What are the key properties of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide?
2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide has a molecular weight of 276.27 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide is sourced from PubChem (CID 107304722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).