2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

C29H35N3O2S — CID 4803583

About 2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (PubChem CID 4803583) has the molecular formula C29H35N3O2S and a molecular weight of 489.69 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
• PubChem CID: 4803583
• Molecular Formula: C29H35N3O2S
• Molecular Weight: 489.69 g/mol
• Exact Mass: 489.24
• IUPAC Name: 2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
• SMILES: Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)NCC2(N3CCOCC3)CCCCC2)cc1
• InChI: InChI=1S/C29H35N3O2S/c1-22-10-12-23(13-11-22)27-25(31-28(35-27)24-8-4-2-5-9-24)20-26(33)30-21-29(14-6-3-7-15-29)32-16-18-34-19-17-32/h2,4-5,8-13H,3,6-7,14-21H2,1H3,(H,30,33)
• InChIKey: QUQPUDOBPMECJB-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.69
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?

The IUPAC name of 2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (CID 4803583) is 2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.

What is the SMILES notation for 2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?

The canonical SMILES for 2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)NCC2(N3CCOCC3)CCCCC2)cc1.

What is the InChIKey of 2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?

The InChIKey is QUQPUDOBPMECJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O2S/c1-22-10-12-23(13-11-22)27-25(31-28(35-27)24-8-4-2-5-9-24)20-26(33)30-21-29(14-6-3-7-15-29)32-16-18-34-19-17-32/h2,4-5,8-13H,3,6-7,14-21H2,1H3,(H,30,33).

What are the key properties of 2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?

2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide has a molecular weight of 489.69 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 4803583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).