(5Z)-5-[(3-fluorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C15H8FN3OS2 — CID 750739

IUPAC(5Z)-5-[(3-fluorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=c1/c(=C/c2cccc(F)c2)sc2nc(-c3cccs3)nn12
InChIInChI=1S/C15H8FN3OS2/c16-10-4-1-3-9(7-10)8-12-14(20)19-15(22-12)17-13(18-19)11-5-2-6-21-11/h1-8H/b12-8-
InChIKeyOAGHOMBUKXWKAF-WQLSENKSSA-N
MW329.38 g/mol
LogP2.57
Rot. Bonds2

About (5Z)-5-[(3-fluorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

(5Z)-5-[(3-fluorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 750739) has the molecular formula C15H8FN3OS2 and a molecular weight of 329.38 g/mol. Its IUPAC name is (5Z)-5-[(3-fluorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-5-[(3-fluorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID750739
Molecular FormulaC15H8FN3OS2
Molecular Weight329.38 g/mol
Exact Mass329.01
IUPAC Name(5Z)-5-[(3-fluorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=c1/c(=C/c2cccc(F)c2)sc2nc(-c3cccs3)nn12
InChIInChI=1S/C15H8FN3OS2/c16-10-4-1-3-9(7-10)8-12-14(20)19-15(22-12)17-13(18-19)11-5-2-6-21-11/h1-8H/b12-8-
InChIKeyOAGHOMBUKXWKAF-WQLSENKSSA-N
XLogP2.57
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-fluorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-5-[(3-fluorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 750739) is (5Z)-5-[(3-fluorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-5-[(3-fluorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-5-[(3-fluorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is O=c1/c(=C/c2cccc(F)c2)sc2nc(-c3cccs3)nn12.
What is the InChIKey of (5Z)-5-[(3-fluorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is OAGHOMBUKXWKAF-WQLSENKSSA-N. The full InChI is InChI=1S/C15H8FN3OS2/c16-10-4-1-3-9(7-10)8-12-14(20)19-15(22-12)17-13(18-19)11-5-2-6-21-11/h1-8H/b12-8-.
What are the key properties of (5Z)-5-[(3-fluorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-5-[(3-fluorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 329.38 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-fluorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 750739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).