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

C7H10F3N3S2 — CID 107305133

IUPACN-(2-methylsulfanylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCSC(C)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3S2/c1-4(14-2)3-11-6-12-5(13-15-6)7(8,9)10/h4H,3H2,1-2H3,(H,11,12,13)
InChIKeyKEUPPLSWIXXVIM-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.72
Rot. Bonds4

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

N-(2-methylsulfanylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305133) has the molecular formula C7H10F3N3S2 and a molecular weight of 257.31 g/mol. Its IUPAC name is N-(2-methylsulfanylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305133
Molecular FormulaC7H10F3N3S2
Molecular Weight257.31 g/mol
Exact Mass257.03
IUPAC NameN-(2-methylsulfanylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCSC(C)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3S2/c1-4(14-2)3-11-6-12-5(13-15-6)7(8,9)10/h4H,3H2,1-2H3,(H,11,12,13)
InChIKeyKEUPPLSWIXXVIM-UHFFFAOYSA-N
XLogP2.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methylsulfanylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305133) is N-(2-methylsulfanylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methylsulfanylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methylsulfanylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CSC(C)CNc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-(2-methylsulfanylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is KEUPPLSWIXXVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3S2/c1-4(14-2)3-11-6-12-5(13-15-6)7(8,9)10/h4H,3H2,1-2H3,(H,11,12,13).
What are the key properties of N-(2-methylsulfanylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(2-methylsulfanylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 257.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).