ethyl 4-methyl-2-[[2-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoyloxy]acetyl]amino]-1,3-thiazole-5-carboxylate

C19H28N4O6S — CID 4681046

About ethyl 4-methyl-2-[[2-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoyloxy]acetyl]amino]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[[2-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoyloxy]acetyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 4681046) has the molecular formula C19H28N4O6S and a molecular weight of 440.52 g/mol. Its IUPAC name is ethyl 4-methyl-2-[[2-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoyloxy]acetyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-methyl-2-[[2-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoyloxy]acetyl]amino]-1,3-thiazole-5-carboxylate
• PubChem CID: 4681046
• Molecular Formula: C19H28N4O6S
• Molecular Weight: 440.52 g/mol
• Exact Mass: 440.17
• IUPAC Name: ethyl 4-methyl-2-[[2-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoyloxy]acetyl]amino]-1,3-thiazole-5-carboxylate
• SMILES: CCOC(=O)c1sc(NC(=O)COC(=O)CCCCCC2NC(=O)NC2C)nc1C
• InChI: InChI=1S/C19H28N4O6S/c1-4-28-17(26)16-12(3)21-19(30-16)23-14(24)10-29-15(25)9-7-5-6-8-13-11(2)20-18(27)22-13/h11,13H,4-10H2,1-3H3,(H2,20,22,27)(H,21,23,24)
• InChIKey: DXVKYGUTUAESAZ-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 135.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.52
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[[2-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoyloxy]acetyl]amino]-1,3-thiazole-5-carboxylate?

The IUPAC name of ethyl 4-methyl-2-[[2-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoyloxy]acetyl]amino]-1,3-thiazole-5-carboxylate (CID 4681046) is ethyl 4-methyl-2-[[2-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoyloxy]acetyl]amino]-1,3-thiazole-5-carboxylate.

What is the SMILES notation for ethyl 4-methyl-2-[[2-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoyloxy]acetyl]amino]-1,3-thiazole-5-carboxylate?

The canonical SMILES for ethyl 4-methyl-2-[[2-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoyloxy]acetyl]amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)COC(=O)CCCCCC2NC(=O)NC2C)nc1C.

What is the InChIKey of ethyl 4-methyl-2-[[2-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoyloxy]acetyl]amino]-1,3-thiazole-5-carboxylate?

The InChIKey is DXVKYGUTUAESAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O6S/c1-4-28-17(26)16-12(3)21-19(30-16)23-14(24)10-29-15(25)9-7-5-6-8-13-11(2)20-18(27)22-13/h11,13H,4-10H2,1-3H3,(H2,20,22,27)(H,21,23,24).

What are the key properties of ethyl 4-methyl-2-[[2-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoyloxy]acetyl]amino]-1,3-thiazole-5-carboxylate?

ethyl 4-methyl-2-[[2-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoyloxy]acetyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 440.52 g/mol, XLogP of 2.13, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-methyl-2-[[2-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoyloxy]acetyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 4681046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).