5-azido-3-(trifluoromethyl)-1,2,4-thiadiazole

C3F3N5S — CID 107306324

IUPAC5-azido-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILES[N-]=[N+]=Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C3F3N5S/c4-3(5,6)1-8-2(9-11-7)12-10-1
InChIKeySUEIHKFGRKOBAG-UHFFFAOYSA-N
MW195.13 g/mol
LogP2.50
Rot. Bonds1

About 5-azido-3-(trifluoromethyl)-1,2,4-thiadiazole

5-azido-3-(trifluoromethyl)-1,2,4-thiadiazole (PubChem CID 107306324) has the molecular formula C3F3N5S and a molecular weight of 195.13 g/mol. Its IUPAC name is 5-azido-3-(trifluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-azido-3-(trifluoromethyl)-1,2,4-thiadiazole
PubChem CID107306324
Molecular FormulaC3F3N5S
Molecular Weight195.13 g/mol
Exact Mass194.98
IUPAC Name5-azido-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILES[N-]=[N+]=Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C3F3N5S/c4-3(5,6)1-8-2(9-11-7)12-10-1
InChIKeySUEIHKFGRKOBAG-UHFFFAOYSA-N
XLogP2.50
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.13
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-azido-3-(trifluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-azido-3-(trifluoromethyl)-1,2,4-thiadiazole (CID 107306324) is 5-azido-3-(trifluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-azido-3-(trifluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-azido-3-(trifluoromethyl)-1,2,4-thiadiazole is [N-]=[N+]=Nc1nc(C(F)(F)F)ns1.
What is the InChIKey of 5-azido-3-(trifluoromethyl)-1,2,4-thiadiazole?
The InChIKey is SUEIHKFGRKOBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F3N5S/c4-3(5,6)1-8-2(9-11-7)12-10-1.
What are the key properties of 5-azido-3-(trifluoromethyl)-1,2,4-thiadiazole?
5-azido-3-(trifluoromethyl)-1,2,4-thiadiazole has a molecular weight of 195.13 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-3-(trifluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 107306324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).