3,5-dimethyl-N-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]benzamide

C25H28N4O2S — CID 24608847

About 3,5-dimethyl-N-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]benzamide

3,5-dimethyl-N-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]benzamide (PubChem CID 24608847) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 3,5-dimethyl-N-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]benzamide
• PubChem CID: 24608847
• Molecular Formula: C25H28N4O2S
• Molecular Weight: 448.59 g/mol
• Exact Mass: 448.19
• IUPAC Name: 3,5-dimethyl-N-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]benzamide
• SMILES: Cc1cc(C)cc(C(=O)NCC(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)c1
• InChI: InChI=1S/C25H28N4O2S/c1-18-12-19(2)14-21(13-18)24(31)26-15-23(30)29-10-8-28(9-11-29)16-22-17-32-25(27-22)20-6-4-3-5-7-20/h3-7,12-14,17H,8-11,15-16H2,1-2H3,(H,26,31)
• InChIKey: ZEDBDCCXODFHMZ-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.59
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]benzamide?

The IUPAC name of 3,5-dimethyl-N-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]benzamide (CID 24608847) is 3,5-dimethyl-N-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]benzamide.

What is the SMILES notation for 3,5-dimethyl-N-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]benzamide?

The canonical SMILES for 3,5-dimethyl-N-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]benzamide is Cc1cc(C)cc(C(=O)NCC(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)c1.

What is the InChIKey of 3,5-dimethyl-N-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]benzamide?

The InChIKey is ZEDBDCCXODFHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2S/c1-18-12-19(2)14-21(13-18)24(31)26-15-23(30)29-10-8-28(9-11-29)16-22-17-32-25(27-22)20-6-4-3-5-7-20/h3-7,12-14,17H,8-11,15-16H2,1-2H3,(H,26,31).

What are the key properties of 3,5-dimethyl-N-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]benzamide?

3,5-dimethyl-N-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]benzamide has a molecular weight of 448.59 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-N-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 24608847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).