5-(iodomethyl)-4-(trifluoromethyl)thiadiazole

C4H2F3IN2S — CID 141237815

IUPAC5-(iodomethyl)-4-(trifluoromethyl)thiadiazole
SMILESFC(F)(F)c1nnsc1CI
InChIInChI=1S/C4H2F3IN2S/c5-4(6,7)3-2(1-8)11-10-9-3/h1H2
InChIKeyYNZOHRPTRDSOQT-UHFFFAOYSA-N
MW294.04 g/mol
LogP2.49
Rot. Bonds1

About 5-(iodomethyl)-4-(trifluoromethyl)thiadiazole

5-(iodomethyl)-4-(trifluoromethyl)thiadiazole (PubChem CID 141237815) has the molecular formula C4H2F3IN2S and a molecular weight of 294.04 g/mol. Its IUPAC name is 5-(iodomethyl)-4-(trifluoromethyl)thiadiazole.

Molecular Properties

Compound Name5-(iodomethyl)-4-(trifluoromethyl)thiadiazole
PubChem CID141237815
Molecular FormulaC4H2F3IN2S
Molecular Weight294.04 g/mol
Exact Mass293.89
IUPAC Name5-(iodomethyl)-4-(trifluoromethyl)thiadiazole
SMILESFC(F)(F)c1nnsc1CI
InChIInChI=1S/C4H2F3IN2S/c5-4(6,7)3-2(1-8)11-10-9-3/h1H2
InChIKeyYNZOHRPTRDSOQT-UHFFFAOYSA-N
XLogP2.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.04
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(iodomethyl)-4-(trifluoromethyl)thiadiazole 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 5-(iodomethyl)-4-(trifluoromethyl)thiadiazole?
The IUPAC name of 5-(iodomethyl)-4-(trifluoromethyl)thiadiazole (CID 141237815) is 5-(iodomethyl)-4-(trifluoromethyl)thiadiazole.
What is the SMILES notation for 5-(iodomethyl)-4-(trifluoromethyl)thiadiazole?
The canonical SMILES for 5-(iodomethyl)-4-(trifluoromethyl)thiadiazole is FC(F)(F)c1nnsc1CI.
What is the InChIKey of 5-(iodomethyl)-4-(trifluoromethyl)thiadiazole?
The InChIKey is YNZOHRPTRDSOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F3IN2S/c5-4(6,7)3-2(1-8)11-10-9-3/h1H2.
What are the key properties of 5-(iodomethyl)-4-(trifluoromethyl)thiadiazole?
5-(iodomethyl)-4-(trifluoromethyl)thiadiazole has a molecular weight of 294.04 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(iodomethyl)-4-(trifluoromethyl)thiadiazole is sourced from PubChem (CID 141237815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).