(5Z)-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-[[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C32H26FN5O2S — CID 18818706

About (5Z)-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-[[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

(5Z)-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-[[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 18818706) has the molecular formula C32H26FN5O2S and a molecular weight of 563.66 g/mol. Its IUPAC name is (5Z)-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-[[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

• Compound Name: (5Z)-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-[[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
• PubChem CID: 18818706
• Molecular Formula: C32H26FN5O2S
• Molecular Weight: 563.66 g/mol
• Exact Mass: 563.18
• IUPAC Name: (5Z)-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-[[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
• SMILES: Cc1cc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)ccc1OC(C)C
• InChI: InChI=1S/C32H26FN5O2S/c1-20(2)40-27-15-12-23(17-21(27)3)30-24(19-37(36-30)26-7-5-4-6-8-26)18-28-31(39)38-32(41-28)34-29(35-38)16-11-22-9-13-25(33)14-10-22/h4-20H,1-3H3/b16-11+,28-18-
• InChIKey: WILRXMMBDVJGLT-SWHYCNSQSA-N
• XLogP: 5.96
• TPSA: 74.31 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.66
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-[[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?

The IUPAC name of (5Z)-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-[[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 18818706) is (5Z)-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-[[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylpyrazol-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-fluorophenyl)ethenyl]-5-[[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?

The canonical SMILES for (5Z)-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-[[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is Cc1cc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)ccc1OC(C)C.

What is the InChIKey of (5Z)-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-[[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?

The InChIKey is WILRXMMBDVJGLT-SWHYCNSQSA-N. The full InChI is InChI=1S/C32H26FN5O2S/c1-20(2)40-27-15-12-23(17-21(27)3)30-24(19-37(36-30)26-7-5-4-6-8-26)18-28-31(39)38-32(41-28)34-29(35-38)16-11-22-9-13-25(33)14-10-22/h4-20H,1-3H3/b16-11+,28-18-.

What are the key properties of (5Z)-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-[[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?

(5Z)-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-[[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 563.66 g/mol, XLogP of 5.96, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-[[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 18818706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).