6-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide

C10H6FN5OS — CID 50896027

IUPAC6-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide
SMILESNC(=O)c1nnc2sc(-c3cccc(F)c3)nn12
InChIInChI=1S/C10H6FN5OS/c11-6-3-1-2-5(4-6)9-15-16-8(7(12)17)13-14-10(16)18-9/h1-4H,(H2,12,17)
InChIKeyPBZHLBQJFDYKJL-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.09
Rot. Bonds2

About 6-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide

6-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide (PubChem CID 50896027) has the molecular formula C10H6FN5OS and a molecular weight of 263.26 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide
PubChem CID50896027
Molecular FormulaC10H6FN5OS
Molecular Weight263.26 g/mol
Exact Mass263.03
IUPAC Name6-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide
SMILESNC(=O)c1nnc2sc(-c3cccc(F)c3)nn12
InChIInChI=1S/C10H6FN5OS/c11-6-3-1-2-5(4-6)9-15-16-8(7(12)17)13-14-10(16)18-9/h1-4H,(H2,12,17)
InChIKeyPBZHLBQJFDYKJL-UHFFFAOYSA-N
XLogP1.09
TPSA86.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide
CID 50896034
3-(benzylsulfanylmethyl)-6-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 134692860
6-(3-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 5304611
[6-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-piperidin-1-ylmethanone
CID 50895939
propan-2-yl 6-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxylate
CID 50896059
[6-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-morpholin-4-ylmethanone
CID 50896194
3-(3-fluorophenyl)-6-(4-propoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 16766996
6-(2-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carbonyl chloride
CID 50895897
3-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzaldehyde
CID 95909496
6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 45492735
3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzoic acid
CID 114352513
6-(3-methylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 850279

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide (CID 50896027) is 6-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide is NC(=O)c1nnc2sc(-c3cccc(F)c3)nn12.
What is the InChIKey of 6-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide?
The InChIKey is PBZHLBQJFDYKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN5OS/c11-6-3-1-2-5(4-6)9-15-16-8(7(12)17)13-14-10(16)18-9/h1-4H,(H2,12,17).
What are the key properties of 6-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide?
6-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide has a molecular weight of 263.26 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxamide is sourced from PubChem (CID 50896027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).