N-[2-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide

C26H27N5O3S — CID 122654159

About N-[2-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide

N-[2-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide (PubChem CID 122654159) has the molecular formula C26H27N5O3S and a molecular weight of 489.60 g/mol. Its IUPAC name is N-[2-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide
• PubChem CID: 122654159
• Molecular Formula: C26H27N5O3S
• Molecular Weight: 489.60 g/mol
• Exact Mass: 489.18
• IUPAC Name: N-[2-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccccc1-c1ccc(N2CC(N3CCN(C(=O)c4nccs4)CC3)CC2=O)cc1
• InChI: InChI=1S/C26H27N5O3S/c1-18(32)28-23-5-3-2-4-22(23)19-6-8-20(9-7-19)31-17-21(16-24(31)33)29-11-13-30(14-12-29)26(34)25-27-10-15-35-25/h2-10,15,21H,11-14,16-17H2,1H3,(H,28,32)
• InChIKey: KHEVDGIYCDQXDA-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 85.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.60
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide?

The IUPAC name of N-[2-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide (CID 122654159) is N-[2-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide.

What is the SMILES notation for N-[2-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide?

The canonical SMILES for N-[2-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide is CC(=O)Nc1ccccc1-c1ccc(N2CC(N3CCN(C(=O)c4nccs4)CC3)CC2=O)cc1.

What is the InChIKey of N-[2-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide?

The InChIKey is KHEVDGIYCDQXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3S/c1-18(32)28-23-5-3-2-4-22(23)19-6-8-20(9-7-19)31-17-21(16-24(31)33)29-11-13-30(14-12-29)26(34)25-27-10-15-35-25/h2-10,15,21H,11-14,16-17H2,1H3,(H,28,32).

What are the key properties of N-[2-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide?

N-[2-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide has a molecular weight of 489.60 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide is sourced from PubChem (CID 122654159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).