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

C18H12N4OS — CID 750757

IUPAC(5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=c1/c(=C/C=C/c2ccccc2)sc2nc(-c3cccnc3)nn12
InChIInChI=1S/C18H12N4OS/c23-17-15(10-4-8-13-6-2-1-3-7-13)24-18-20-16(21-22(17)18)14-9-5-11-19-12-14/h1-12H/b8-4+,15-10-
InChIKeyJXSUTOFKGVAVPX-VVGDYKIKSA-N
MW332.39 g/mol
LogP2.43
Rot. Bonds3

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

(5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 750757) has the molecular formula C18H12N4OS and a molecular weight of 332.39 g/mol. Its IUPAC name is (5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-pyridin-3-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-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID750757
Molecular FormulaC18H12N4OS
Molecular Weight332.39 g/mol
Exact Mass332.07
IUPAC Name(5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=c1/c(=C/C=C/c2ccccc2)sc2nc(-c3cccnc3)nn12
InChIInChI=1S/C18H12N4OS/c23-17-15(10-4-8-13-6-2-1-3-7-13)24-18-20-16(21-22(17)18)14-9-5-11-19-12-14/h1-12H/b8-4+,15-10-
InChIKeyJXSUTOFKGVAVPX-VVGDYKIKSA-N
XLogP2.43
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5Z)-2-(4-methoxyphenyl)-5-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2141670
(5Z)-5-[(2-fluorophenyl)methylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6527435
(5Z)-5-[(4-methoxyphenyl)methylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6527417
5-[(4-phenylmethoxyphenyl)methylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2908509
(5Z)-2-phenyl-5-(pyridin-4-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6126652
(5Z)-5-benzylidene-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 699996
(5E)-5-benzylidene-2-[3-[(5E)-5-benzylidene-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 10007247
(5Z)-2-[(E)-2-(4-methylphenyl)ethenyl]-5-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18816537
(5Z)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 1157563
5-[(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)methylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 4502724
2-cinnamylidene-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
CID 4201247
[2-methoxy-4-[(Z)-(6-oxo-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenyl] acetate
CID 6527455

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-pyridin-3-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-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 750757) is (5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-pyridin-3-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-pyridin-3-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-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is O=c1/c(=C/C=C/c2ccccc2)sc2nc(-c3cccnc3)nn12.
What is the InChIKey of (5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is JXSUTOFKGVAVPX-VVGDYKIKSA-N. The full InChI is InChI=1S/C18H12N4OS/c23-17-15(10-4-8-13-6-2-1-3-7-13)24-18-20-16(21-22(17)18)14-9-5-11-19-12-14/h1-12H/b8-4+,15-10-.
What are the key properties of (5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 332.39 g/mol, XLogP of 2.43, 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-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 750757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).