(2Z)-3-(4-chlorophenyl)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]propanoic acid

C18H12Cl3N3O2S — CID 118706350

About (2Z)-3-(4-chlorophenyl)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]propanoic acid

(2Z)-3-(4-chlorophenyl)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]propanoic acid (PubChem CID 118706350) has the molecular formula C18H12Cl3N3O2S and a molecular weight of 440.74 g/mol. Its IUPAC name is (2Z)-3-(4-chlorophenyl)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]propanoic acid.

Molecular Properties

• Compound Name: (2Z)-3-(4-chlorophenyl)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]propanoic acid
• PubChem CID: 118706350
• Molecular Formula: C18H12Cl3N3O2S
• Molecular Weight: 440.74 g/mol
• Exact Mass: 438.97
• IUPAC Name: (2Z)-3-(4-chlorophenyl)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]propanoic acid
• SMILES: O=C(O)/C(Cc1ccc(Cl)cc1)=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
• InChI: InChI=1S/C18H12Cl3N3O2S/c19-12-4-1-10(2-5-12)7-15(17(25)26)23-24-18-22-16(9-27-18)11-3-6-13(20)14(21)8-11/h1-6,8-9H,7H2,(H,22,24)(H,25,26)/b23-15-
• InChIKey: YWEAITVDRJLMLP-HAHDFKILSA-N
• XLogP: 5.87
• TPSA: 74.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.74
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	2
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 (2Z)-3-(4-chlorophenyl)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]propanoic acid?

The IUPAC name of (2Z)-3-(4-chlorophenyl)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]propanoic acid (CID 118706350) is (2Z)-3-(4-chlorophenyl)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]propanoic acid.

What is the SMILES notation for (2Z)-3-(4-chlorophenyl)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]propanoic acid?

The canonical SMILES for (2Z)-3-(4-chlorophenyl)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]propanoic acid is O=C(O)/C(Cc1ccc(Cl)cc1)=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1.

What is the InChIKey of (2Z)-3-(4-chlorophenyl)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]propanoic acid?

The InChIKey is YWEAITVDRJLMLP-HAHDFKILSA-N. The full InChI is InChI=1S/C18H12Cl3N3O2S/c19-12-4-1-10(2-5-12)7-15(17(25)26)23-24-18-22-16(9-27-18)11-3-6-13(20)14(21)8-11/h1-6,8-9H,7H2,(H,22,24)(H,25,26)/b23-15-.

What are the key properties of (2Z)-3-(4-chlorophenyl)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]propanoic acid?

(2Z)-3-(4-chlorophenyl)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]propanoic acid has a molecular weight of 440.74 g/mol, XLogP of 5.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-3-(4-chlorophenyl)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]propanoic acid is sourced from PubChem (CID 118706350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).