(5Z)-4-(3-hydroxyphenyl)imino-5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazolidin-2-one

C26H20N4O3S — CID 135782371

About (5Z)-4-(3-hydroxyphenyl)imino-5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazolidin-2-one

(5Z)-4-(3-hydroxyphenyl)imino-5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazolidin-2-one (PubChem CID 135782371) has the molecular formula C26H20N4O3S and a molecular weight of 468.54 g/mol. Its IUPAC name is (5Z)-4-(3-hydroxyphenyl)imino-5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazolidin-2-one.

Molecular Properties

• Compound Name: (5Z)-4-(3-hydroxyphenyl)imino-5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazolidin-2-one
• PubChem CID: 135782371
• Molecular Formula: C26H20N4O3S
• Molecular Weight: 468.54 g/mol
• Exact Mass: 468.13
• IUPAC Name: (5Z)-4-(3-hydroxyphenyl)imino-5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazolidin-2-one
• SMILES: COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=O)N\C2=N/c2cccc(O)c2)cc1
• InChI: InChI=1S/C26H20N4O3S/c1-33-22-12-10-17(11-13-22)24-18(16-30(29-24)20-7-3-2-4-8-20)14-23-25(28-26(32)34-23)27-19-6-5-9-21(31)15-19/h2-16,31H,1H3,(H,27,28,32)/b23-14-
• InChIKey: HRLVFEXMYJGEIR-UCQKPKSFSA-N
• XLogP: 5.78
• TPSA: 88.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.54
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-4-(3-hydroxyphenyl)imino-5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazolidin-2-one?

The IUPAC name of (5Z)-4-(3-hydroxyphenyl)imino-5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazolidin-2-one (CID 135782371) is (5Z)-4-(3-hydroxyphenyl)imino-5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazolidin-2-one.

What is the SMILES notation for (5Z)-4-(3-hydroxyphenyl)imino-5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazolidin-2-one?

The canonical SMILES for (5Z)-4-(3-hydroxyphenyl)imino-5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazolidin-2-one is COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=O)N\C2=N/c2cccc(O)c2)cc1.

What is the InChIKey of (5Z)-4-(3-hydroxyphenyl)imino-5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazolidin-2-one?

The InChIKey is HRLVFEXMYJGEIR-UCQKPKSFSA-N. The full InChI is InChI=1S/C26H20N4O3S/c1-33-22-12-10-17(11-13-22)24-18(16-30(29-24)20-7-3-2-4-8-20)14-23-25(28-26(32)34-23)27-19-6-5-9-21(31)15-19/h2-16,31H,1H3,(H,27,28,32)/b23-14-.

What are the key properties of (5Z)-4-(3-hydroxyphenyl)imino-5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazolidin-2-one?

(5Z)-4-(3-hydroxyphenyl)imino-5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazolidin-2-one has a molecular weight of 468.54 g/mol, XLogP of 5.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-4-(3-hydroxyphenyl)imino-5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazolidin-2-one is sourced from PubChem (CID 135782371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).