3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine

C7H10F3N3S2 — CID 103894467

IUPAC3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCCSC(F)(F)F)n1
InChIInChI=1S/C7H10F3N3S2/c1-2-5-12-6(15-13-5)11-3-4-14-7(8,9)10/h2-4H2,1H3,(H,11,12,13)
InChIKeyGCTCHWFUWZUYHZ-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.77
Rot. Bonds5

About 3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine

3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 103894467) has the molecular formula C7H10F3N3S2 and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID103894467
Molecular FormulaC7H10F3N3S2
Molecular Weight257.31 g/mol
Exact Mass257.03
IUPAC Name3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCCSC(F)(F)F)n1
InChIInChI=1S/C7H10F3N3S2/c1-2-5-12-6(15-13-5)11-3-4-14-7(8,9)10/h2-4H2,1H3,(H,11,12,13)
InChIKeyGCTCHWFUWZUYHZ-UHFFFAOYSA-N
XLogP2.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(2,2,2-Trifluoroethyl)guanidino]-3-[2-(2-cyano-3-methylguanidino)-ethylthiomethyl]-1,2,4-thiadiazole
CID 21298796
1-[3-(2-Aminoethylsulfanylmethyl)-1,2,4-thiadiazol-5-yl]-2-(2,2,2-trifluoroethyl)guanidine
CID 21298866
N-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65267701
3-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65268223
N-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268635
N-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268712
N-propyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65269158
N-cyclopropyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65269174
N-methyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65269257
3-tert-butyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65271023
3-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65271025
3-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65271079

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine (CID 103894467) is 3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine is CCc1nsc(NCCSC(F)(F)F)n1.
What is the InChIKey of 3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is GCTCHWFUWZUYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3S2/c1-2-5-12-6(15-13-5)11-3-4-14-7(8,9)10/h2-4H2,1H3,(H,11,12,13).
What are the key properties of 3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine?
3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 257.31 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103894467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).