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

C26H28N6O2S — CID 11956480

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

N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]acetamide (PubChem CID 11956480) has the molecular formula C26H28N6O2S and a molecular weight of 488.62 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]acetamide
• PubChem CID: 11956480
• Molecular Formula: C26H28N6O2S
• Molecular Weight: 488.62 g/mol
• Exact Mass: 488.20
• IUPAC Name: N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]acetamide
• SMILES: Cc1cccc(N2CCN(CC(=O)Nc3cc(-c4nccs4)nc(-c4ccc(C)o4)n3)CC2C)c1
• InChI: InChI=1S/C26H28N6O2S/c1-17-5-4-6-20(13-17)32-11-10-31(15-18(32)2)16-24(33)29-23-14-21(26-27-9-12-35-26)28-25(30-23)22-8-7-19(3)34-22/h4-9,12-14,18H,10-11,15-16H2,1-3H3,(H,28,29,30,33)
• InChIKey: LZHBYPVUQLFBKP-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 87.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.62
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]acetamide (CID 11956480) is N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]acetamide.

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

The canonical SMILES for N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]acetamide is Cc1cccc(N2CCN(CC(=O)Nc3cc(-c4nccs4)nc(-c4ccc(C)o4)n3)CC2C)c1.

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

The InChIKey is LZHBYPVUQLFBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2S/c1-17-5-4-6-20(13-17)32-11-10-31(15-18(32)2)16-24(33)29-23-14-21(26-27-9-12-35-26)28-25(30-23)22-8-7-19(3)34-22/h4-9,12-14,18H,10-11,15-16H2,1-3H3,(H,28,29,30,33).

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

N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]acetamide has a molecular weight of 488.62 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 11956480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).