N'-hydroxy-4-[5-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]pentoxy]benzenecarboximidamide

C26H26N4O3S — CID 11677232

About N'-hydroxy-4-[5-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]pentoxy]benzenecarboximidamide

N'-hydroxy-4-[5-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]pentoxy]benzenecarboximidamide (PubChem CID 11677232) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is N'-hydroxy-4-[5-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]pentoxy]benzenecarboximidamide.

Molecular Properties

• Compound Name: N'-hydroxy-4-[5-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]pentoxy]benzenecarboximidamide
• PubChem CID: 11677232
• Molecular Formula: C26H26N4O3S
• Molecular Weight: 474.59 g/mol
• Exact Mass: 474.17
• IUPAC Name: N'-hydroxy-4-[5-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]pentoxy]benzenecarboximidamide
• SMILES: N/C(=N\O)c1ccc(OCCCCCOc2ccc(-c3csc(-c4cccnc4)n3)cc2)cc1
• InChI: InChI=1S/C26H26N4O3S/c27-25(30-31)20-8-12-23(13-9-20)33-16-3-1-2-15-32-22-10-6-19(7-11-22)24-18-34-26(29-24)21-5-4-14-28-17-21/h4-14,17-18,31H,1-3,15-16H2,(H2,27,30)
• InChIKey: JWWJFRKREJAUCG-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 102.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.59
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[5-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]pentoxy]benzenecarboximidamide?

The IUPAC name of N'-hydroxy-4-[5-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]pentoxy]benzenecarboximidamide (CID 11677232) is N'-hydroxy-4-[5-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]pentoxy]benzenecarboximidamide.

What is the SMILES notation for N'-hydroxy-4-[5-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]pentoxy]benzenecarboximidamide?

The canonical SMILES for N'-hydroxy-4-[5-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]pentoxy]benzenecarboximidamide is N/C(=N\O)c1ccc(OCCCCCOc2ccc(-c3csc(-c4cccnc4)n3)cc2)cc1.

What is the InChIKey of N'-hydroxy-4-[5-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]pentoxy]benzenecarboximidamide?

The InChIKey is JWWJFRKREJAUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c27-25(30-31)20-8-12-23(13-9-20)33-16-3-1-2-15-32-22-10-6-19(7-11-22)24-18-34-26(29-24)21-5-4-14-28-17-21/h4-14,17-18,31H,1-3,15-16H2,(H2,27,30).

What are the key properties of N'-hydroxy-4-[5-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]pentoxy]benzenecarboximidamide?

N'-hydroxy-4-[5-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]pentoxy]benzenecarboximidamide has a molecular weight of 474.59 g/mol, XLogP of 5.59, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N'-hydroxy-4-[5-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]pentoxy]benzenecarboximidamide is sourced from PubChem (CID 11677232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).