2-(2-chlorophenothiazin-10-yl)-N-[(5Z)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide

C30H20Cl3N3O2S2 — CID 11802058

About 2-(2-chlorophenothiazin-10-yl)-N-[(5Z)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide

2-(2-chlorophenothiazin-10-yl)-N-[(5Z)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 11802058) has the molecular formula C30H20Cl3N3O2S2 and a molecular weight of 625.00 g/mol. Its IUPAC name is 2-(2-chlorophenothiazin-10-yl)-N-[(5Z)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-(2-chlorophenothiazin-10-yl)-N-[(5Z)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
• PubChem CID: 11802058
• Molecular Formula: C30H20Cl3N3O2S2
• Molecular Weight: 625.00 g/mol
• Exact Mass: 623.01
• IUPAC Name: 2-(2-chlorophenothiazin-10-yl)-N-[(5Z)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
• SMILES: O=C(CN1c2ccccc2Sc2ccc(Cl)cc21)NN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1c1ccc(Cl)cc1
• InChI: InChI=1S/C30H20Cl3N3O2S2/c31-20-9-5-18(6-10-20)15-27-29(38)36(30(40-27)19-7-11-21(32)12-8-19)34-28(37)17-35-23-3-1-2-4-25(23)39-26-14-13-22(33)16-24(26)35/h1-16,30H,17H2,(H,34,37)/b27-15-
• InChIKey: FCOOABXJIXEZIM-DICXZTSXSA-N
• XLogP: 8.60
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.00
LogP ≤ 5	8.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenothiazin-10-yl)-N-[(5Z)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide?

The IUPAC name of 2-(2-chlorophenothiazin-10-yl)-N-[(5Z)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide (CID 11802058) is 2-(2-chlorophenothiazin-10-yl)-N-[(5Z)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide.

What is the SMILES notation for 2-(2-chlorophenothiazin-10-yl)-N-[(5Z)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide?

The canonical SMILES for 2-(2-chlorophenothiazin-10-yl)-N-[(5Z)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide is O=C(CN1c2ccccc2Sc2ccc(Cl)cc21)NN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1c1ccc(Cl)cc1.

What is the InChIKey of 2-(2-chlorophenothiazin-10-yl)-N-[(5Z)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide?

The InChIKey is FCOOABXJIXEZIM-DICXZTSXSA-N. The full InChI is InChI=1S/C30H20Cl3N3O2S2/c31-20-9-5-18(6-10-20)15-27-29(38)36(30(40-27)19-7-11-21(32)12-8-19)34-28(37)17-35-23-3-1-2-4-25(23)39-26-14-13-22(33)16-24(26)35/h1-16,30H,17H2,(H,34,37)/b27-15-.

What are the key properties of 2-(2-chlorophenothiazin-10-yl)-N-[(5Z)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide?

2-(2-chlorophenothiazin-10-yl)-N-[(5Z)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 625.00 g/mol, XLogP of 8.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenothiazin-10-yl)-N-[(5Z)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 11802058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).