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

C6H8F3N3OS2 — CID 107305149

IUPACN-(2-methylsulfinylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCS(=O)CCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C6H8F3N3OS2/c1-15(13)3-2-10-5-11-4(12-14-5)6(7,8)9/h2-3H2,1H3,(H,10,11,12)
InChIKeyUKGAAOOBCZAYMC-UHFFFAOYSA-N
MW259.28 g/mol
LogP1.35
Rot. Bonds4

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

N-(2-methylsulfinylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305149) has the molecular formula C6H8F3N3OS2 and a molecular weight of 259.28 g/mol. Its IUPAC name is N-(2-methylsulfinylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methylsulfinylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305149
Molecular FormulaC6H8F3N3OS2
Molecular Weight259.28 g/mol
Exact Mass259.01
IUPAC NameN-(2-methylsulfinylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCS(=O)CCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C6H8F3N3OS2/c1-15(13)3-2-10-5-11-4(12-14-5)6(7,8)9/h2-3H2,1H3,(H,10,11,12)
InChIKeyUKGAAOOBCZAYMC-UHFFFAOYSA-N
XLogP1.35
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfinylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methylsulfinylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305149) is N-(2-methylsulfinylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methylsulfinylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methylsulfinylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CS(=O)CCNc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-(2-methylsulfinylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is UKGAAOOBCZAYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3OS2/c1-15(13)3-2-10-5-11-4(12-14-5)6(7,8)9/h2-3H2,1H3,(H,10,11,12).
What are the key properties of N-(2-methylsulfinylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(2-methylsulfinylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 259.28 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfinylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).