(2Z)-2-[1-(3-chlorophenyl)-3-(1-ethyl-5-methoxyindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one

C23H20ClN5O2S — CID 171346384

About (2Z)-2-[1-(3-chlorophenyl)-3-(1-ethyl-5-methoxyindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one

(2Z)-2-[1-(3-chlorophenyl)-3-(1-ethyl-5-methoxyindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one (PubChem CID 171346384) has the molecular formula C23H20ClN5O2S and a molecular weight of 465.97 g/mol. Its IUPAC name is (2Z)-2-[1-(3-chlorophenyl)-3-(1-ethyl-5-methoxyindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2Z)-2-[1-(3-chlorophenyl)-3-(1-ethyl-5-methoxyindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one
• PubChem CID: 171346384
• Molecular Formula: C23H20ClN5O2S
• Molecular Weight: 465.97 g/mol
• Exact Mass: 465.10
• IUPAC Name: (2Z)-2-[1-(3-chlorophenyl)-3-(1-ethyl-5-methoxyindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one
• SMILES: CCn1cc(-c2cc(/N=C3/NC(=O)CS3)n(-c3cccc(Cl)c3)n2)c2cc(OC)ccc21
• InChI: InChI=1S/C23H20ClN5O2S/c1-3-28-12-18(17-10-16(31-2)7-8-20(17)28)19-11-21(25-23-26-22(30)13-32-23)29(27-19)15-6-4-5-14(24)9-15/h4-12H,3,13H2,1-2H3,(H,25,26,30)
• InChIKey: ZEAAYUHRFIBGDA-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 73.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.97
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[1-(3-chlorophenyl)-3-(1-ethyl-5-methoxyindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?

The IUPAC name of (2Z)-2-[1-(3-chlorophenyl)-3-(1-ethyl-5-methoxyindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one (CID 171346384) is (2Z)-2-[1-(3-chlorophenyl)-3-(1-ethyl-5-methoxyindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one.

What is the SMILES notation for (2Z)-2-[1-(3-chlorophenyl)-3-(1-ethyl-5-methoxyindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?

The canonical SMILES for (2Z)-2-[1-(3-chlorophenyl)-3-(1-ethyl-5-methoxyindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one is CCn1cc(-c2cc(/N=C3/NC(=O)CS3)n(-c3cccc(Cl)c3)n2)c2cc(OC)ccc21.

What is the InChIKey of (2Z)-2-[1-(3-chlorophenyl)-3-(1-ethyl-5-methoxyindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?

The InChIKey is ZEAAYUHRFIBGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O2S/c1-3-28-12-18(17-10-16(31-2)7-8-20(17)28)19-11-21(25-23-26-22(30)13-32-23)29(27-19)15-6-4-5-14(24)9-15/h4-12H,3,13H2,1-2H3,(H,25,26,30).

What are the key properties of (2Z)-2-[1-(3-chlorophenyl)-3-(1-ethyl-5-methoxyindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?

(2Z)-2-[1-(3-chlorophenyl)-3-(1-ethyl-5-methoxyindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one has a molecular weight of 465.97 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-[1-(3-chlorophenyl)-3-(1-ethyl-5-methoxyindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 171346384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).