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

C7H11F3N4O2S2 — CID 106339251

IUPACN,N-dimethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C7H11F3N4O2S2/c1-14(2)18(15,16)4-3-11-6-13-12-5(17-6)7(8,9)10/h3-4H2,1-2H3,(H,11,13)
InChIKeyPERCHBHVJIEBOX-UHFFFAOYSA-N
MW304.32 g/mol
LogP0.86
Rot. Bonds5

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

N,N-dimethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide (PubChem CID 106339251) has the molecular formula C7H11F3N4O2S2 and a molecular weight of 304.32 g/mol. Its IUPAC name is N,N-dimethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide
PubChem CID106339251
Molecular FormulaC7H11F3N4O2S2
Molecular Weight304.32 g/mol
Exact Mass304.03
IUPAC NameN,N-dimethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C7H11F3N4O2S2/c1-14(2)18(15,16)4-3-11-6-13-12-5(17-6)7(8,9)10/h3-4H2,1-2H3,(H,11,13)
InChIKeyPERCHBHVJIEBOX-UHFFFAOYSA-N
XLogP0.86
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N',N'-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
CID 114448040
N'-methyl-N'-propan-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
CID 114448473
N',N'-di(propan-2-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
CID 114448079
5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentanamide
CID 106238655
N'-ethyl-N'-propyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
CID 114134174
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
CID 3151634
tert-butyl N-[2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]carbamate
CID 114448421
N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]hexane-1,6-diamine
CID 107845141
2-[2-(dimethylsulfamoyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 106343034
N-(2,3-dimethylbutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448606
3-methyl-2-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]butanoic acid
CID 114449398
N-[2-(3,5-difluorophenyl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448451

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide?
The IUPAC name of N,N-dimethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide (CID 106339251) is N,N-dimethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide is CN(C)S(=O)(=O)CCNc1nnc(C(F)(F)F)s1.
What is the InChIKey of N,N-dimethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide?
The InChIKey is PERCHBHVJIEBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4O2S2/c1-14(2)18(15,16)4-3-11-6-13-12-5(17-6)7(8,9)10/h3-4H2,1-2H3,(H,11,13).
What are the key properties of N,N-dimethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide?
N,N-dimethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide has a molecular weight of 304.32 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide is sourced from PubChem (CID 106339251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).