4-chloro-N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]benzamide

C23H17ClN4O2S — CID 135956722

About 4-chloro-N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]benzamide

4-chloro-N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]benzamide (PubChem CID 135956722) has the molecular formula C23H17ClN4O2S and a molecular weight of 448.94 g/mol. Its IUPAC name is 4-chloro-N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]benzamide.

Molecular Properties

• Compound Name: 4-chloro-N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]benzamide
• PubChem CID: 135956722
• Molecular Formula: C23H17ClN4O2S
• Molecular Weight: 448.94 g/mol
• Exact Mass: 448.08
• IUPAC Name: 4-chloro-N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]benzamide
• SMILES: O=C(Nc1sc(N/N=C\c2ccc(O)cc2)nc1-c1ccccc1)c1ccc(Cl)cc1
• InChI: InChI=1S/C23H17ClN4O2S/c24-18-10-8-17(9-11-18)21(30)27-22-20(16-4-2-1-3-5-16)26-23(31-22)28-25-14-15-6-12-19(29)13-7-15/h1-14,29H,(H,26,28)(H,27,30)/b25-14-
• InChIKey: SGUNUWUZWRCIKW-QFEZKATASA-N
• XLogP: 5.87
• TPSA: 86.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.94
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_B(215)', '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 4-chloro-N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]benzamide?

The IUPAC name of 4-chloro-N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]benzamide (CID 135956722) is 4-chloro-N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]benzamide.

What is the SMILES notation for 4-chloro-N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]benzamide?

The canonical SMILES for 4-chloro-N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]benzamide is O=C(Nc1sc(N/N=C\c2ccc(O)cc2)nc1-c1ccccc1)c1ccc(Cl)cc1.

What is the InChIKey of 4-chloro-N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]benzamide?

The InChIKey is SGUNUWUZWRCIKW-QFEZKATASA-N. The full InChI is InChI=1S/C23H17ClN4O2S/c24-18-10-8-17(9-11-18)21(30)27-22-20(16-4-2-1-3-5-16)26-23(31-22)28-25-14-15-6-12-19(29)13-7-15/h1-14,29H,(H,26,28)(H,27,30)/b25-14-.

What are the key properties of 4-chloro-N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]benzamide?

4-chloro-N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]benzamide has a molecular weight of 448.94 g/mol, XLogP of 5.87, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]benzamide is sourced from PubChem (CID 135956722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).