2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C10H6FN3OS — CID 82357933

IUPAC2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=C1CSc2nc(-c3ccc(F)cc3)nn21
InChIInChI=1S/C10H6FN3OS/c11-7-3-1-6(2-4-7)9-12-10-14(13-9)8(15)5-16-10/h1-4H,5H2
InChIKeyCSDQQLGVUUIENG-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.83
Rot. Bonds1

About 2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 82357933) has the molecular formula C10H6FN3OS and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID82357933
Molecular FormulaC10H6FN3OS
Molecular Weight235.24 g/mol
Exact Mass235.02
IUPAC Name2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=C1CSc2nc(-c3ccc(F)cc3)nn21
InChIInChI=1S/C10H6FN3OS/c11-7-3-1-6(2-4-7)9-12-10-14(13-9)8(15)5-16-10/h1-4H,5H2
InChIKeyCSDQQLGVUUIENG-UHFFFAOYSA-N
XLogP1.83
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-2,5-bis(4-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
CID 699857
(5S)-2-(4-fluorophenyl)-5-(4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
CID 1192930
(5R)-5-(4-fluorophenyl)-2-(3-methylphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
CID 7160452
(5R)-2-(3,4-dichlorophenyl)-5-(3-fluorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
CID 1248967
2-[(2,5-dimethylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 82357968
5-(4-methoxyphenyl)-2-(4-methylphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
CID 2916637
2,3-bis(4-fluorophenyl)-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one
CID 11267866
2-[[4-(4-fluorophenyl)imidazol-1-yl]methyl]-2-methylcyclohexane-1,3-dione
CID 46180250
(5R)-2-phenyl-5-thiophen-2-yl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
CID 950050
(5S)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
CID 1045322
(5Z)-2-(4-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 938463
5-chloro-1-(4-fluorophenyl)-3-phenyl-1,2,4-triazole
CID 30032544

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of 2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 82357933) is 2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for 2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for 2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is O=C1CSc2nc(-c3ccc(F)cc3)nn21.
What is the InChIKey of 2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is CSDQQLGVUUIENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3OS/c11-7-3-1-6(2-4-7)9-12-10-14(13-9)8(15)5-16-10/h1-4H,5H2.
What are the key properties of 2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 235.24 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 82357933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).