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

C7H10F3N3O2S2 — CID 107304992

IUPACN-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(CS(C)(=O)=O)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3O2S2/c1-4(3-17(2,14)15)11-6-12-5(13-16-6)7(8,9)10/h4H,3H2,1-2H3,(H,11,12,13)
InChIKeyGBXUSRHDBPJEPQ-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.40
Rot. Bonds4

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

N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304992) has the molecular formula C7H10F3N3O2S2 and a molecular weight of 289.30 g/mol. Its IUPAC name is N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304992
Molecular FormulaC7H10F3N3O2S2
Molecular Weight289.30 g/mol
Exact Mass289.02
IUPAC NameN-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(CS(C)(=O)=O)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3O2S2/c1-4(3-17(2,14)15)11-6-12-5(13-16-6)7(8,9)10/h4H,3H2,1-2H3,(H,11,12,13)
InChIKeyGBXUSRHDBPJEPQ-UHFFFAOYSA-N
XLogP1.40
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304992) is N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CC(CS(C)(=O)=O)Nc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is GBXUSRHDBPJEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2S2/c1-4(3-17(2,14)15)11-6-12-5(13-16-6)7(8,9)10/h4H,3H2,1-2H3,(H,11,12,13).
What are the key properties of N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 289.30 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).