N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C6H8F3N3O2S2 — CID 107304751

IUPACN-(2-methylsulfonylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCS(=O)(=O)CCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C6H8F3N3O2S2/c1-16(13,14)3-2-10-5-11-4(12-15-5)6(7,8)9/h2-3H2,1H3,(H,10,11,12)
InChIKeyRHDIPDVEJJAARJ-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.01
Rot. Bonds4

About N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304751) has the molecular formula C6H8F3N3O2S2 and a molecular weight of 275.28 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304751
Molecular FormulaC6H8F3N3O2S2
Molecular Weight275.28 g/mol
Exact Mass275.00
IUPAC NameN-(2-methylsulfonylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCS(=O)(=O)CCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C6H8F3N3O2S2/c1-16(13,14)3-2-10-5-11-4(12-15-5)6(7,8)9/h2-3H2,1H3,(H,10,11,12)
InChIKeyRHDIPDVEJJAARJ-UHFFFAOYSA-N
XLogP1.01
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine 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

N-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304642
N-(2-ethoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304729
2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107304692
N-octyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305075
2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl carbamate
CID 107305091
N-(2-methylsulfonylethyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 65271114
N',N'-dimethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304685
N-(4-chloropentyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 106124620
N-(2-ethylbutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305185
N-(3-chloro-2,2-dimethylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107306150
N-(2-cyclohexylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304747
2,2-difluoro-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
CID 106171882

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304751) is N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CS(=O)(=O)CCNc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is RHDIPDVEJJAARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O2S2/c1-16(13,14)3-2-10-5-11-4(12-15-5)6(7,8)9/h2-3H2,1H3,(H,10,11,12).
What are the key properties of N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 275.28 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).