1-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-ol

C20H13Cl2N3OS — CID 135648455

About 1-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-ol

1-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-ol (PubChem CID 135648455) has the molecular formula C20H13Cl2N3OS and a molecular weight of 414.32 g/mol. Its IUPAC name is 1-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-ol.

Molecular Properties

• Compound Name: 1-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-ol
• PubChem CID: 135648455
• Molecular Formula: C20H13Cl2N3OS
• Molecular Weight: 414.32 g/mol
• Exact Mass: 413.02
• IUPAC Name: 1-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-ol
• SMILES: Oc1ccc2ccccc2c1/C=N/Nc1nc(-c2ccc(Cl)cc2Cl)cs1
• InChI: InChI=1S/C20H13Cl2N3OS/c21-13-6-7-15(17(22)9-13)18-11-27-20(24-18)25-23-10-16-14-4-2-1-3-12(14)5-8-19(16)26/h1-11,26H,(H,24,25)/b23-10+
• InChIKey: MEVQYEXLTMCTDE-AUEPDCJTSA-N
• XLogP: 6.42
• TPSA: 57.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.32
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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 1-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-ol?

The IUPAC name of 1-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-ol (CID 135648455) is 1-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-ol.

What is the SMILES notation for 1-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-ol?

The canonical SMILES for 1-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/Nc1nc(-c2ccc(Cl)cc2Cl)cs1.

What is the InChIKey of 1-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-ol?

The InChIKey is MEVQYEXLTMCTDE-AUEPDCJTSA-N. The full InChI is InChI=1S/C20H13Cl2N3OS/c21-13-6-7-15(17(22)9-13)18-11-27-20(24-18)25-23-10-16-14-4-2-1-3-12(14)5-8-19(16)26/h1-11,26H,(H,24,25)/b23-10+.

What are the key properties of 1-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-ol?

1-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-ol has a molecular weight of 414.32 g/mol, XLogP of 6.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-ol is sourced from PubChem (CID 135648455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).