3-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine

C5H6F3N3S — CID 65268372

IUPAC3-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCC(F)(F)F)n1
InChIInChI=1S/C5H6F3N3S/c1-3-10-4(12-11-3)9-2-5(6,7)8/h2H2,1H3,(H,9,10,11)
InChIKeySTDXYLHGIUDHHJ-UHFFFAOYSA-N
MW197.18 g/mol
LogP1.82
Rot. Bonds2

About 3-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine

3-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268372) has the molecular formula C5H6F3N3S and a molecular weight of 197.18 g/mol. Its IUPAC name is 3-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65268372
Molecular FormulaC5H6F3N3S
Molecular Weight197.18 g/mol
Exact Mass197.02
IUPAC Name3-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCC(F)(F)F)n1
InChIInChI=1S/C5H6F3N3S/c1-3-10-4(12-11-3)9-2-5(6,7)8/h2H2,1H3,(H,9,10,11)
InChIKeySTDXYLHGIUDHHJ-UHFFFAOYSA-N
XLogP1.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine (CID 65268372) is 3-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine is Cc1nsc(NCC(F)(F)F)n1.
What is the InChIKey of 3-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is STDXYLHGIUDHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3S/c1-3-10-4(12-11-3)9-2-5(6,7)8/h2H2,1H3,(H,9,10,11).
What are the key properties of 3-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 197.18 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).