3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-thiadiazole

C5H2F3N5S — CID 167875874

IUPAC3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-thiadiazole
SMILESFC(F)(F)c1nc(-c2cnsn2)n[nH]1
InChIInChI=1S/C5H2F3N5S/c6-5(7,8)4-10-3(11-12-4)2-1-9-14-13-2/h1H,(H,10,11,12)
InChIKeyQASURNRQOVMSBC-UHFFFAOYSA-N
MW221.17 g/mol
LogP1.34
Rot. Bonds1

About 3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-thiadiazole

3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-thiadiazole (PubChem CID 167875874) has the molecular formula C5H2F3N5S and a molecular weight of 221.17 g/mol. Its IUPAC name is 3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-thiadiazole
PubChem CID167875874
Molecular FormulaC5H2F3N5S
Molecular Weight221.17 g/mol
Exact Mass221.00
IUPAC Name3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-thiadiazole
SMILESFC(F)(F)c1nc(-c2cnsn2)n[nH]1
InChIInChI=1S/C5H2F3N5S/c6-5(7,8)4-10-3(11-12-4)2-1-9-14-13-2/h1H,(H,10,11,12)
InChIKeyQASURNRQOVMSBC-UHFFFAOYSA-N
XLogP1.34
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-thiadiazole with MolForge

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

Launch Full Analysis

Related Compounds

1,2,4-Triazolyl-1,2,3-triazole
CID 18940321
3-(5-Methyl-1,2,4-triazol-3-yl)furazan
CID 129872109
N-(2,2-difluoroethyl)-5-(1,2,5-thiadiazol-3-yl)-1H-1,2,4-triazol-3-amine
CID 138014743
3-[5-(2,2,3,3-tetrafluoropropoxymethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-thiadiazole
CID 166264045
3-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 167768585
3-(2H-triazol-4-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 167802974
5-methyl-3-(2H-triazol-4-yl)-1H-1,2,4-triazole
CID 53884997
3-(1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole
CID 57048643
3,5-bis(2H-triazol-4-yl)-1H-1,2,4-triazole
CID 57317600
5-(2H-triazol-4-yl)-1H-1,2,4-triazole-3-carbonitrile
CID 70023892
1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)triazole
CID 136636352
3-(1h-1,2,3-Triazol-4-yl)-1h-1,2,4-triazol-5-amine
CID 80496554

Frequently Asked Questions

What is the IUPAC name of 3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-thiadiazole?
The IUPAC name of 3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-thiadiazole (CID 167875874) is 3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-thiadiazole.
What is the SMILES notation for 3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-thiadiazole?
The canonical SMILES for 3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-thiadiazole is FC(F)(F)c1nc(-c2cnsn2)n[nH]1.
What is the InChIKey of 3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-thiadiazole?
The InChIKey is QASURNRQOVMSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F3N5S/c6-5(7,8)4-10-3(11-12-4)2-1-9-14-13-2/h1H,(H,10,11,12).
What are the key properties of 3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-thiadiazole?
3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-thiadiazole has a molecular weight of 221.17 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-thiadiazole is sourced from PubChem (CID 167875874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).