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

C27H34N4O3S — CID 87149096

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

N'-hydroxy-4-[5-[4-(5-methyl-2-piperidin-1-yl-1,3-thiazol-4-yl)phenoxy]pentoxy]benzenecarboximidamide (PubChem CID 87149096) has the molecular formula C27H34N4O3S and a molecular weight of 494.66 g/mol. Its IUPAC name is N'-hydroxy-4-[5-[4-(5-methyl-2-piperidin-1-yl-1,3-thiazol-4-yl)phenoxy]pentoxy]benzenecarboximidamide.

Molecular Properties

• Compound Name: N'-hydroxy-4-[5-[4-(5-methyl-2-piperidin-1-yl-1,3-thiazol-4-yl)phenoxy]pentoxy]benzenecarboximidamide
• PubChem CID: 87149096
• Molecular Formula: C27H34N4O3S
• Molecular Weight: 494.66 g/mol
• Exact Mass: 494.24
• IUPAC Name: N'-hydroxy-4-[5-[4-(5-methyl-2-piperidin-1-yl-1,3-thiazol-4-yl)phenoxy]pentoxy]benzenecarboximidamide
• SMILES: Cc1sc(N2CCCCC2)nc1-c1ccc(OCCCCCOc2ccc(/C(N)=N/O)cc2)cc1
• InChI: InChI=1S/C27H34N4O3S/c1-20-25(29-27(35-20)31-16-4-2-5-17-31)21-8-12-23(13-9-21)33-18-6-3-7-19-34-24-14-10-22(11-15-24)26(28)30-32/h8-15,32H,2-7,16-19H2,1H3,(H2,28,30)
• InChIKey: FEEBRRKPOTXGBS-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 93.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.66
LogP ≤ 5	5.83
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-(5-methyl-2-piperidin-1-yl-1,3-thiazol-4-yl)phenoxy]pentoxy]benzenecarboximidamide?

The IUPAC name of N'-hydroxy-4-[5-[4-(5-methyl-2-piperidin-1-yl-1,3-thiazol-4-yl)phenoxy]pentoxy]benzenecarboximidamide (CID 87149096) is N'-hydroxy-4-[5-[4-(5-methyl-2-piperidin-1-yl-1,3-thiazol-4-yl)phenoxy]pentoxy]benzenecarboximidamide.

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

The canonical SMILES for N'-hydroxy-4-[5-[4-(5-methyl-2-piperidin-1-yl-1,3-thiazol-4-yl)phenoxy]pentoxy]benzenecarboximidamide is Cc1sc(N2CCCCC2)nc1-c1ccc(OCCCCCOc2ccc(/C(N)=N/O)cc2)cc1.

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

The InChIKey is FEEBRRKPOTXGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3S/c1-20-25(29-27(35-20)31-16-4-2-5-17-31)21-8-12-23(13-9-21)33-18-6-3-7-19-34-24-14-10-22(11-15-24)26(28)30-32/h8-15,32H,2-7,16-19H2,1H3,(H2,28,30).

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

N'-hydroxy-4-[5-[4-(5-methyl-2-piperidin-1-yl-1,3-thiazol-4-yl)phenoxy]pentoxy]benzenecarboximidamide has a molecular weight of 494.66 g/mol, XLogP of 5.83, 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-(5-methyl-2-piperidin-1-yl-1,3-thiazol-4-yl)phenoxy]pentoxy]benzenecarboximidamide is sourced from PubChem (CID 87149096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).