(5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C17H11N3OS2 — CID 2139360

IUPAC(5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=c1/c(=C/C=C/c2ccccc2)sc2nc(-c3cccs3)nn12
InChIInChI=1S/C17H11N3OS2/c21-16-14(9-4-8-12-6-2-1-3-7-12)23-17-18-15(19-20(16)17)13-10-5-11-22-13/h1-11H/b8-4+,14-9-
InChIKeyBGUCUWBNUHMTAE-KXXDCUPXSA-N
MW337.43 g/mol
LogP3.09
Rot. Bonds3

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

(5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 2139360) has the molecular formula C17H11N3OS2 and a molecular weight of 337.43 g/mol. Its IUPAC name is (5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID2139360
Molecular FormulaC17H11N3OS2
Molecular Weight337.43 g/mol
Exact Mass337.03
IUPAC Name(5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=c1/c(=C/C=C/c2ccccc2)sc2nc(-c3cccs3)nn12
InChIInChI=1S/C17H11N3OS2/c21-16-14(9-4-8-12-6-2-1-3-7-12)23-17-18-15(19-20(16)17)13-10-5-11-22-13/h1-11H/b8-4+,14-9-
InChIKeyBGUCUWBNUHMTAE-KXXDCUPXSA-N
XLogP3.09
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 2139360) is (5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is O=c1/c(=C/C=C/c2ccccc2)sc2nc(-c3cccs3)nn12.
What is the InChIKey of (5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is BGUCUWBNUHMTAE-KXXDCUPXSA-N. The full InChI is InChI=1S/C17H11N3OS2/c21-16-14(9-4-8-12-6-2-1-3-7-12)23-17-18-15(19-20(16)17)13-10-5-11-22-13/h1-11H/b8-4+,14-9-.
What are the key properties of (5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 337.43 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 2139360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).