N-(2-methoxyethyl)-2-[4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide

C19H26N4O4S — CID 78870020

About N-(2-methoxyethyl)-2-[4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide

N-(2-methoxyethyl)-2-[4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide (PubChem CID 78870020) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-2-[4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide
• PubChem CID: 78870020
• Molecular Formula: C19H26N4O4S
• Molecular Weight: 406.51 g/mol
• Exact Mass: 406.17
• IUPAC Name: N-(2-methoxyethyl)-2-[4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide
• SMILES: COCCNC(=O)CN1CCN(C(=O)c2sc(-c3ccc(C)o3)nc2C)CC1
• InChI: InChI=1S/C19H26N4O4S/c1-13-4-5-15(27-13)18-21-14(2)17(28-18)19(25)23-9-7-22(8-10-23)12-16(24)20-6-11-26-3/h4-5H,6-12H2,1-3H3,(H,20,24)
• InChIKey: YSQUOLXNTHULTE-UHFFFAOYSA-N
• XLogP: 1.54
• TPSA: 87.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.51
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide?

The IUPAC name of N-(2-methoxyethyl)-2-[4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide (CID 78870020) is N-(2-methoxyethyl)-2-[4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide.

What is the SMILES notation for N-(2-methoxyethyl)-2-[4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide?

The canonical SMILES for N-(2-methoxyethyl)-2-[4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide is COCCNC(=O)CN1CCN(C(=O)c2sc(-c3ccc(C)o3)nc2C)CC1.

What is the InChIKey of N-(2-methoxyethyl)-2-[4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide?

The InChIKey is YSQUOLXNTHULTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-13-4-5-15(27-13)18-21-14(2)17(28-18)19(25)23-9-7-22(8-10-23)12-16(24)20-6-11-26-3/h4-5H,6-12H2,1-3H3,(H,20,24).

What are the key properties of N-(2-methoxyethyl)-2-[4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide?

N-(2-methoxyethyl)-2-[4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide has a molecular weight of 406.51 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-2-[4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 78870020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).