N-(4-methylphenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide

C25H28N4O3S — CID 24517627

About N-(4-methylphenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide

N-(4-methylphenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide (PubChem CID 24517627) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-methylphenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide
• PubChem CID: 24517627
• Molecular Formula: C25H28N4O3S
• Molecular Weight: 464.59 g/mol
• Exact Mass: 464.19
• IUPAC Name: N-(4-methylphenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide
• SMILES: Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3OCc3csc(C)n3)CC2)cc1
• InChI: InChI=1S/C25H28N4O3S/c1-18-7-9-20(10-8-18)27-24(30)15-28-11-13-29(14-12-28)25(31)22-5-3-4-6-23(22)32-16-21-17-33-19(2)26-21/h3-10,17H,11-16H2,1-2H3,(H,27,30)
• InChIKey: BFVHAQFVEQPGHM-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.59
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide?

The IUPAC name of N-(4-methylphenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide (CID 24517627) is N-(4-methylphenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide.

What is the SMILES notation for N-(4-methylphenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide?

The canonical SMILES for N-(4-methylphenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide is Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3OCc3csc(C)n3)CC2)cc1.

What is the InChIKey of N-(4-methylphenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide?

The InChIKey is BFVHAQFVEQPGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3S/c1-18-7-9-20(10-8-18)27-24(30)15-28-11-13-29(14-12-28)25(31)22-5-3-4-6-23(22)32-16-21-17-33-19(2)26-21/h3-10,17H,11-16H2,1-2H3,(H,27,30).

What are the key properties of N-(4-methylphenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide?

N-(4-methylphenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide has a molecular weight of 464.59 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methylphenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 24517627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).