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

C8H12F3N3O2S2 — CID 107305041

IUPACN-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)(CNc1nc(C(F)(F)F)ns1)S(C)(=O)=O
InChIInChI=1S/C8H12F3N3O2S2/c1-7(2,18(3,15)16)4-12-6-13-5(14-17-6)8(9,10)11/h4H2,1-3H3,(H,12,13,14)
InChIKeyRFIVDCJYHLRYOI-UHFFFAOYSA-N
MW303.33 g/mol
LogP1.79
Rot. Bonds4

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

N-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305041) has the molecular formula C8H12F3N3O2S2 and a molecular weight of 303.33 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305041
Molecular FormulaC8H12F3N3O2S2
Molecular Weight303.33 g/mol
Exact Mass303.03
IUPAC NameN-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)(CNc1nc(C(F)(F)F)ns1)S(C)(=O)=O
InChIInChI=1S/C8H12F3N3O2S2/c1-7(2,18(3,15)16)4-12-6-13-5(14-17-6)8(9,10)11/h4H2,1-3H3,(H,12,13,14)
InChIKeyRFIVDCJYHLRYOI-UHFFFAOYSA-N
XLogP1.79
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305041) is N-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CC(C)(CNc1nc(C(F)(F)F)ns1)S(C)(=O)=O.
What is the InChIKey of N-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is RFIVDCJYHLRYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2S2/c1-7(2,18(3,15)16)4-12-6-13-5(14-17-6)8(9,10)11/h4H2,1-3H3,(H,12,13,14).
What are the key properties of N-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 303.33 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).