(5Z)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C32H27N5O3S — CID 18818697

About (5Z)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

(5Z)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 18818697) has the molecular formula C32H27N5O3S and a molecular weight of 561.67 g/mol. Its IUPAC name is (5Z)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

• Compound Name: (5Z)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
• PubChem CID: 18818697
• Molecular Formula: C32H27N5O3S
• Molecular Weight: 561.67 g/mol
• Exact Mass: 561.18
• IUPAC Name: (5Z)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
• SMILES: CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(/C=C/c4ccc(OC)cc4)nn3c2=O)c1
• InChI: InChI=1S/C32H27N5O3S/c1-3-18-40-27-11-7-8-23(19-27)30-24(21-36(35-30)25-9-5-4-6-10-25)20-28-31(38)37-32(41-28)33-29(34-37)17-14-22-12-15-26(39-2)16-13-22/h4-17,19-21H,3,18H2,1-2H3/b17-14+,28-20-
• InChIKey: DDSCLDFOAWYWRY-LYHITVHMSA-N
• XLogP: 5.52
• TPSA: 83.54 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.67
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?

The IUPAC name of (5Z)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 18818697) is (5Z)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

What is the SMILES notation for (5Z)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?

The canonical SMILES for (5Z)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(/C=C/c4ccc(OC)cc4)nn3c2=O)c1.

What is the InChIKey of (5Z)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?

The InChIKey is DDSCLDFOAWYWRY-LYHITVHMSA-N. The full InChI is InChI=1S/C32H27N5O3S/c1-3-18-40-27-11-7-8-23(19-27)30-24(21-36(35-30)25-9-5-4-6-10-25)20-28-31(38)37-32(41-28)33-29(34-37)17-14-22-12-15-26(39-2)16-13-22/h4-17,19-21H,3,18H2,1-2H3/b17-14+,28-20-.

What are the key properties of (5Z)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?

(5Z)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 561.67 g/mol, XLogP of 5.52, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 18818697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).