2-(4-cyclopentylpiperazin-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide

C23H28N6O2S — CID 11956948

About 2-(4-cyclopentylpiperazin-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide

2-(4-cyclopentylpiperazin-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide (PubChem CID 11956948) has the molecular formula C23H28N6O2S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-(4-cyclopentylpiperazin-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-cyclopentylpiperazin-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
• PubChem CID: 11956948
• Molecular Formula: C23H28N6O2S
• Molecular Weight: 452.58 g/mol
• Exact Mass: 452.20
• IUPAC Name: 2-(4-cyclopentylpiperazin-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
• SMILES: Cc1ccc(-c2nc(NC(=O)CN3CCN(C4CCCC4)CC3)cc(-c3nccs3)n2)o1
• InChI: InChI=1S/C23H28N6O2S/c1-16-6-7-19(31-16)22-25-18(23-24-8-13-32-23)14-20(27-22)26-21(30)15-28-9-11-29(12-10-28)17-4-2-3-5-17/h6-8,13-14,17H,2-5,9-12,15H2,1H3,(H,25,26,27,30)
• InChIKey: VPKMSEAUBBCUPX-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 87.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.58
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?

The IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide (CID 11956948) is 2-(4-cyclopentylpiperazin-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide.

What is the SMILES notation for 2-(4-cyclopentylpiperazin-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?

The canonical SMILES for 2-(4-cyclopentylpiperazin-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide is Cc1ccc(-c2nc(NC(=O)CN3CCN(C4CCCC4)CC3)cc(-c3nccs3)n2)o1.

What is the InChIKey of 2-(4-cyclopentylpiperazin-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?

The InChIKey is VPKMSEAUBBCUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2S/c1-16-6-7-19(31-16)22-25-18(23-24-8-13-32-23)14-20(27-22)26-21(30)15-28-9-11-29(12-10-28)17-4-2-3-5-17/h6-8,13-14,17H,2-5,9-12,15H2,1H3,(H,25,26,27,30).

What are the key properties of 2-(4-cyclopentylpiperazin-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?

2-(4-cyclopentylpiperazin-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide has a molecular weight of 452.58 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopentylpiperazin-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 11956948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).