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

C7H10F3N3O2S2 — CID 107304786

IUPACN-(3-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCS(=O)(=O)CCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3O2S2/c1-17(14,15)4-2-3-11-6-12-5(13-16-6)7(8,9)10/h2-4H2,1H3,(H,11,12,13)
InChIKeyRXCJJELOVUYNJZ-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.40
Rot. Bonds5

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

N-(3-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304786) has the molecular formula C7H10F3N3O2S2 and a molecular weight of 289.30 g/mol. Its IUPAC name is N-(3-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(3-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304786
Molecular FormulaC7H10F3N3O2S2
Molecular Weight289.30 g/mol
Exact Mass289.02
IUPAC NameN-(3-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCS(=O)(=O)CCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3O2S2/c1-17(14,15)4-2-3-11-6-12-5(13-16-6)7(8,9)10/h2-4H2,1H3,(H,11,12,13)
InChIKeyRXCJJELOVUYNJZ-UHFFFAOYSA-N
XLogP1.40
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(3-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304786) is N-(3-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(3-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(3-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CS(=O)(=O)CCCNc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-(3-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is RXCJJELOVUYNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2S2/c1-17(14,15)4-2-3-11-6-12-5(13-16-6)7(8,9)10/h2-4H2,1H3,(H,11,12,13).
What are the key properties of N-(3-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(3-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 289.30 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).