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

C7H10F3N3OS2 — CID 107305159

IUPACN-(3-methylsulfinylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCS(=O)CCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3OS2/c1-16(14)4-2-3-11-6-12-5(13-15-6)7(8,9)10/h2-4H2,1H3,(H,11,12,13)
InChIKeyGYRRXVQESVREOP-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.74
Rot. Bonds5

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

N-(3-methylsulfinylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305159) has the molecular formula C7H10F3N3OS2 and a molecular weight of 273.31 g/mol. Its IUPAC name is N-(3-methylsulfinylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(3-methylsulfinylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305159
Molecular FormulaC7H10F3N3OS2
Molecular Weight273.31 g/mol
Exact Mass273.02
IUPAC NameN-(3-methylsulfinylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCS(=O)CCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3OS2/c1-16(14)4-2-3-11-6-12-5(13-15-6)7(8,9)10/h2-4H2,1H3,(H,11,12,13)
InChIKeyGYRRXVQESVREOP-UHFFFAOYSA-N
XLogP1.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-methylsulfinylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfinylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(3-methylsulfinylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305159) is N-(3-methylsulfinylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(3-methylsulfinylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(3-methylsulfinylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CS(=O)CCCNc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-(3-methylsulfinylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is GYRRXVQESVREOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3OS2/c1-16(14)4-2-3-11-6-12-5(13-15-6)7(8,9)10/h2-4H2,1H3,(H,11,12,13).
What are the key properties of N-(3-methylsulfinylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(3-methylsulfinylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 273.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfinylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).