2-[(4-fluorophenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

C18H10FN3O2S — CID 23996381

IUPAC2-[(4-fluorophenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESO=c1nc2sc(=Cc3ccc(F)cc3)c(=O)n2nc1-c1ccccc1
InChIInChI=1S/C18H10FN3O2S/c19-13-8-6-11(7-9-13)10-14-17(24)22-18(25-14)20-16(23)15(21-22)12-4-2-1-3-5-12/h1-10H
InChIKeyAJOCSHIGLKRKHE-UHFFFAOYSA-N
MW351.36 g/mol
LogP1.87
Rot. Bonds2

About 2-[(4-fluorophenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

2-[(4-fluorophenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (PubChem CID 23996381) has the molecular formula C18H10FN3O2S and a molecular weight of 351.36 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
PubChem CID23996381
Molecular FormulaC18H10FN3O2S
Molecular Weight351.36 g/mol
Exact Mass351.05
IUPAC Name2-[(4-fluorophenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESO=c1nc2sc(=Cc3ccc(F)cc3)c(=O)n2nc1-c1ccccc1
InChIInChI=1S/C18H10FN3O2S/c19-13-8-6-11(7-9-13)10-14-17(24)22-18(25-14)20-16(23)15(21-22)12-4-2-1-3-5-12/h1-10H
InChIKeyAJOCSHIGLKRKHE-UHFFFAOYSA-N
XLogP1.87
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The IUPAC name of 2-[(4-fluorophenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (CID 23996381) is 2-[(4-fluorophenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.
What is the SMILES notation for 2-[(4-fluorophenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The canonical SMILES for 2-[(4-fluorophenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is O=c1nc2sc(=Cc3ccc(F)cc3)c(=O)n2nc1-c1ccccc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The InChIKey is AJOCSHIGLKRKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10FN3O2S/c19-13-8-6-11(7-9-13)10-14-17(24)22-18(25-14)20-16(23)15(21-22)12-4-2-1-3-5-12/h1-10H.
What are the key properties of 2-[(4-fluorophenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
2-[(4-fluorophenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione has a molecular weight of 351.36 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is sourced from PubChem (CID 23996381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).