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

C8H12F3N3S — CID 107305137

IUPACN-(2-methylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCCC(C)(C)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H12F3N3S/c1-4-7(2,3)13-6-12-5(14-15-6)8(9,10)11/h4H2,1-3H3,(H,12,13,14)
InChIKeyPOEHDCAGVICMAE-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.16
Rot. Bonds3

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

N-(2-methylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305137) has the molecular formula C8H12F3N3S and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305137
Molecular FormulaC8H12F3N3S
Molecular Weight239.27 g/mol
Exact Mass239.07
IUPAC NameN-(2-methylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCCC(C)(C)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H12F3N3S/c1-4-7(2,3)13-6-12-5(14-15-6)8(9,10)11/h4H2,1-3H3,(H,12,13,14)
InChIKeyPOEHDCAGVICMAE-UHFFFAOYSA-N
XLogP3.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305137) is N-(2-methylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CCC(C)(C)Nc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-(2-methylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is POEHDCAGVICMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3S/c1-4-7(2,3)13-6-12-5(14-15-6)8(9,10)11/h4H2,1-3H3,(H,12,13,14).
What are the key properties of N-(2-methylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(2-methylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 239.27 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).