6-[(2-fluorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one

C17H10FN3OS — CID 937809

IUPAC6-[(2-fluorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESO=c1c(=Cc2ccccc2F)sc2nnc(-c3ccccc3)n12
InChIInChI=1S/C17H10FN3OS/c18-13-9-5-4-8-12(13)10-14-16(22)21-15(19-20-17(21)23-14)11-6-2-1-3-7-11/h1-10H
InChIKeyXYTSOASPLROMKF-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.50
Rot. Bonds2

About 6-[(2-fluorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one

6-[(2-fluorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (PubChem CID 937809) has the molecular formula C17H10FN3OS and a molecular weight of 323.35 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
PubChem CID937809
Molecular FormulaC17H10FN3OS
Molecular Weight323.35 g/mol
Exact Mass323.05
IUPAC Name6-[(2-fluorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESO=c1c(=Cc2ccccc2F)sc2nnc(-c3ccccc3)n12
InChIInChI=1S/C17H10FN3OS/c18-13-9-5-4-8-12(13)10-14-16(22)21-15(19-20-17(21)23-14)11-6-2-1-3-7-11/h1-10H
InChIKeyXYTSOASPLROMKF-UHFFFAOYSA-N
XLogP2.50
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The IUPAC name of 6-[(2-fluorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (CID 937809) is 6-[(2-fluorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.
What is the SMILES notation for 6-[(2-fluorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The canonical SMILES for 6-[(2-fluorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is O=c1c(=Cc2ccccc2F)sc2nnc(-c3ccccc3)n12.
What is the InChIKey of 6-[(2-fluorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The InChIKey is XYTSOASPLROMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN3OS/c18-13-9-5-4-8-12(13)10-14-16(22)21-15(19-20-17(21)23-14)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 6-[(2-fluorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
6-[(2-fluorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one has a molecular weight of 323.35 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is sourced from PubChem (CID 937809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).