O-[cyclohexyl-[4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]hydroxylamine

C26H32N2O2S — CID 10789082

About O-[cyclohexyl-[4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]hydroxylamine

O-[cyclohexyl-[4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]hydroxylamine (PubChem CID 10789082) has the molecular formula C26H32N2O2S and a molecular weight of 436.62 g/mol. Its IUPAC name is O-[cyclohexyl-[4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]hydroxylamine.

Molecular Properties

• Compound Name: O-[cyclohexyl-[4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]hydroxylamine
• PubChem CID: 10789082
• Molecular Formula: C26H32N2O2S
• Molecular Weight: 436.62 g/mol
• Exact Mass: 436.22
• IUPAC Name: O-[cyclohexyl-[4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]hydroxylamine
• SMILES: CC(C)c1ccc(-c2csc(COc3ccc(C(ON)C4CCCCC4)cc3)n2)cc1
• InChI: InChI=1S/C26H32N2O2S/c1-18(2)19-8-10-20(11-9-19)24-17-31-25(28-24)16-29-23-14-12-22(13-15-23)26(30-27)21-6-4-3-5-7-21/h8-15,17-18,21,26H,3-7,16,27H2,1-2H3
• InChIKey: FWIJIABABOURAS-UHFFFAOYSA-N
• XLogP: 7.02
• TPSA: 57.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.62
LogP ≤ 5	7.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of O-[cyclohexyl-[4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]hydroxylamine?

The IUPAC name of O-[cyclohexyl-[4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]hydroxylamine (CID 10789082) is O-[cyclohexyl-[4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]hydroxylamine.

What is the SMILES notation for O-[cyclohexyl-[4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]hydroxylamine?

The canonical SMILES for O-[cyclohexyl-[4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]hydroxylamine is CC(C)c1ccc(-c2csc(COc3ccc(C(ON)C4CCCCC4)cc3)n2)cc1.

What is the InChIKey of O-[cyclohexyl-[4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]hydroxylamine?

The InChIKey is FWIJIABABOURAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2S/c1-18(2)19-8-10-20(11-9-19)24-17-31-25(28-24)16-29-23-14-12-22(13-15-23)26(30-27)21-6-4-3-5-7-21/h8-15,17-18,21,26H,3-7,16,27H2,1-2H3.

What are the key properties of O-[cyclohexyl-[4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]hydroxylamine?

O-[cyclohexyl-[4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]hydroxylamine has a molecular weight of 436.62 g/mol, XLogP of 7.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for O-[cyclohexyl-[4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]hydroxylamine is sourced from PubChem (CID 10789082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).