[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(2-methoxyphenoxy)acetate

C₁₇H₂₀N₂O₅S — CID 31204519

About [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(2-methoxyphenoxy)acetate

[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(2-methoxyphenoxy)acetate (PubChem CID 31204519) has the molecular formula C₁₇H₂₀N₂O₅S and a molecular weight of 364.42 g/mol. Its IUPAC name is [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(2-methoxyphenoxy)acetate.

Molecular Properties

• Compound Name: [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(2-methoxyphenoxy)acetate
• PubChem CID: 31204519
• Molecular Formula: C₁₇H₂₀N₂O₅S
• Molecular Weight: 364.42 g/mol
• Exact Mass: 364.11
• IUPAC Name: [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(2-methoxyphenoxy)acetate
• SMILES: CCN(C(C)=O)c1nc(COC(=O)COc2ccccc2OC)cs1
• InChI: InChI=1S/C17H20N2O5S/c1-4-19(12(2)20)17-18-13(11-25-17)9-24-16(21)10-23-15-8-6-5-7-14(15)22-3/h5-8,11H,4,9-10H2,1-3H3
• InChIKey: BNDAQOLUYPLZBO-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 77.96 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.42
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(2-methoxyphenoxy)acetate?

The IUPAC name of [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(2-methoxyphenoxy)acetate (CID 31204519) is [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(2-methoxyphenoxy)acetate.

What is the SMILES notation for [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(2-methoxyphenoxy)acetate?

The canonical SMILES for [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(2-methoxyphenoxy)acetate is CCN(C(C)=O)c1nc(COC(=O)COc2ccccc2OC)cs1.

What is the InChIKey of [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(2-methoxyphenoxy)acetate?

The InChIKey is BNDAQOLUYPLZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-4-19(12(2)20)17-18-13(11-25-17)9-24-16(21)10-23-15-8-6-5-7-14(15)22-3/h5-8,11H,4,9-10H2,1-3H3.

What are the key properties of [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(2-methoxyphenoxy)acetate?

[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(2-methoxyphenoxy)acetate has a molecular weight of 364.42 g/mol, XLogP of 2.65, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(2-methoxyphenoxy)acetate is sourced from PubChem (CID 31204519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 31204519 — identifiers, structure, computed properties (public domain)

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