N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide

C24H25N5OS2 — CID 30485980

About N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide

N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 30485980) has the molecular formula C24H25N5OS2 and a molecular weight of 463.63 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide
• PubChem CID: 30485980
• Molecular Formula: C24H25N5OS2
• Molecular Weight: 463.63 g/mol
• Exact Mass: 463.15
• IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide
• SMILES: Cc1ccc2nc(NC(=O)CN3CCN(Cc4nc(-c5ccccc5)cs4)CC3)sc2c1
• InChI: InChI=1S/C24H25N5OS2/c1-17-7-8-19-21(13-17)32-24(26-19)27-22(30)14-28-9-11-29(12-10-28)15-23-25-20(16-31-23)18-5-3-2-4-6-18/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,27,30)
• InChIKey: JGHHSJNCUPDRAS-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.63
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide?

The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide (CID 30485980) is N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide.

What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide?

The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide is Cc1ccc2nc(NC(=O)CN3CCN(Cc4nc(-c5ccccc5)cs4)CC3)sc2c1.

What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide?

The InChIKey is JGHHSJNCUPDRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5OS2/c1-17-7-8-19-21(13-17)32-24(26-19)27-22(30)14-28-9-11-29(12-10-28)15-23-25-20(16-31-23)18-5-3-2-4-6-18/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,27,30).

What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide?

N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 463.63 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30485980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).