(4Z)-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-one

C23H15ClF3N3OS — CID 11038070

About (4Z)-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-one

(4Z)-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-one (PubChem CID 11038070) has the molecular formula C23H15ClF3N3OS and a molecular weight of 473.91 g/mol. Its IUPAC name is (4Z)-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-one.

Molecular Properties

• Compound Name: (4Z)-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-one
• PubChem CID: 11038070
• Molecular Formula: C23H15ClF3N3OS
• Molecular Weight: 473.91 g/mol
• Exact Mass: 473.06
• IUPAC Name: (4Z)-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-one
• SMILES: O=C(C/C(=N/Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc2ccccc2c1)C(F)(F)F
• InChI: InChI=1S/C23H15ClF3N3OS/c24-18-9-7-15(8-10-18)20-13-32-22(28-20)30-29-19(12-21(31)23(25,26)27)17-6-5-14-3-1-2-4-16(14)11-17/h1-11,13H,12H2,(H,28,30)/b29-19-
• InChIKey: LJTLCICRSJYZMM-CEUNXORHSA-N
• XLogP: 6.95
• TPSA: 54.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.91
LogP ≤ 5	6.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-one?

The IUPAC name of (4Z)-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-one (CID 11038070) is (4Z)-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-one.

What is the SMILES notation for (4Z)-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-one?

The canonical SMILES for (4Z)-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-one is O=C(C/C(=N/Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc2ccccc2c1)C(F)(F)F.

What is the InChIKey of (4Z)-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-one?

The InChIKey is LJTLCICRSJYZMM-CEUNXORHSA-N. The full InChI is InChI=1S/C23H15ClF3N3OS/c24-18-9-7-15(8-10-18)20-13-32-22(28-20)30-29-19(12-21(31)23(25,26)27)17-6-5-14-3-1-2-4-16(14)11-17/h1-11,13H,12H2,(H,28,30)/b29-19-.

What are the key properties of (4Z)-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-one?

(4Z)-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-one has a molecular weight of 473.91 g/mol, XLogP of 6.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z)-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-one is sourced from PubChem (CID 11038070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).