4-(4,4,4-trifluorobutoxymethyl)thiadiazol-5-amine

C7H10F3N3OS — CID 82793333

IUPAC4-(4,4,4-trifluorobutoxymethyl)thiadiazol-5-amine
SMILESNc1snnc1COCCCC(F)(F)F
InChIInChI=1S/C7H10F3N3OS/c8-7(9,10)2-1-3-14-4-5-6(11)15-13-12-5/h1-4,11H2
InChIKeyNCXOIOKGUFSEKO-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.98
Rot. Bonds5

About 4-(4,4,4-trifluorobutoxymethyl)thiadiazol-5-amine

4-(4,4,4-trifluorobutoxymethyl)thiadiazol-5-amine (PubChem CID 82793333) has the molecular formula C7H10F3N3OS and a molecular weight of 241.24 g/mol. Its IUPAC name is 4-(4,4,4-trifluorobutoxymethyl)thiadiazol-5-amine.

Molecular Properties

Compound Name4-(4,4,4-trifluorobutoxymethyl)thiadiazol-5-amine
PubChem CID82793333
Molecular FormulaC7H10F3N3OS
Molecular Weight241.24 g/mol
Exact Mass241.05
IUPAC Name4-(4,4,4-trifluorobutoxymethyl)thiadiazol-5-amine
SMILESNc1snnc1COCCCC(F)(F)F
InChIInChI=1S/C7H10F3N3OS/c8-7(9,10)2-1-3-14-4-5-6(11)15-13-12-5/h1-4,11H2
InChIKeyNCXOIOKGUFSEKO-UHFFFAOYSA-N
XLogP1.98
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4,4,4-trifluorobutoxymethyl)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 4-(4,4,4-trifluorobutoxymethyl)thiadiazol-5-amine?
The IUPAC name of 4-(4,4,4-trifluorobutoxymethyl)thiadiazol-5-amine (CID 82793333) is 4-(4,4,4-trifluorobutoxymethyl)thiadiazol-5-amine.
What is the SMILES notation for 4-(4,4,4-trifluorobutoxymethyl)thiadiazol-5-amine?
The canonical SMILES for 4-(4,4,4-trifluorobutoxymethyl)thiadiazol-5-amine is Nc1snnc1COCCCC(F)(F)F.
What is the InChIKey of 4-(4,4,4-trifluorobutoxymethyl)thiadiazol-5-amine?
The InChIKey is NCXOIOKGUFSEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3OS/c8-7(9,10)2-1-3-14-4-5-6(11)15-13-12-5/h1-4,11H2.
What are the key properties of 4-(4,4,4-trifluorobutoxymethyl)thiadiazol-5-amine?
4-(4,4,4-trifluorobutoxymethyl)thiadiazol-5-amine has a molecular weight of 241.24 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4,4-trifluorobutoxymethyl)thiadiazol-5-amine is sourced from PubChem (CID 82793333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).