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

C7H11F3N4O2S2 — CID 106338317

IUPACN-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C7H11F3N4O2S2/c1-2-12-18(15,16)4-3-11-6-14-13-5(17-6)7(8,9)10/h12H,2-4H2,1H3,(H,11,14)
InChIKeyNMGWMUZGKLNIRY-UHFFFAOYSA-N
MW304.32 g/mol
LogP0.91
Rot. Bonds6

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

N-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide (PubChem CID 106338317) has the molecular formula C7H11F3N4O2S2 and a molecular weight of 304.32 g/mol. Its IUPAC name is N-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide
PubChem CID106338317
Molecular FormulaC7H11F3N4O2S2
Molecular Weight304.32 g/mol
Exact Mass304.03
IUPAC NameN-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C7H11F3N4O2S2/c1-2-12-18(15,16)4-3-11-6-14-13-5(17-6)7(8,9)10/h12H,2-4H2,1H3,(H,11,14)
InChIKeyNMGWMUZGKLNIRY-UHFFFAOYSA-N
XLogP0.91
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentyl]propane-2-sulfonamide
CID 59230983
N-[5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentyl]propane-2-sulfonamide
CID 70939766
5-(2-methylsulfonylethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 48915077
N-(2-methylsulfanylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 91636363
5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 102809257
N-(2-ethylsulfonylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 105779755
N-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide
CID 106337878
N,N-dimethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide
CID 106339251
2-[Ethylsulfamoyl(methyl)amino]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 110190101
N-[3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propyl]methanesulfonamide
CID 113586068
N-(4-methylsulfinylbutan-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 113586283
N-(2-methyl-2-methylsulfonylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 113586300

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide (CID 106338317) is N-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide is CCNS(=O)(=O)CCNc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide?
The InChIKey is NMGWMUZGKLNIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4O2S2/c1-2-12-18(15,16)4-3-11-6-14-13-5(17-6)7(8,9)10/h12H,2-4H2,1H3,(H,11,14).
What are the key properties of N-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide?
N-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide has a molecular weight of 304.32 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide is sourced from PubChem (CID 106338317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).