[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate

C21H19N3O4S — CID 8667697

About [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate

[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate (PubChem CID 8667697) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

• Compound Name: [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
• PubChem CID: 8667697
• Molecular Formula: C21H19N3O4S
• Molecular Weight: 409.47 g/mol
• Exact Mass: 409.11
• IUPAC Name: [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
• SMILES: O=C(COC(=O)Cc1csc(N2CCCC2=O)n1)Nc1cccc2ccccc12
• InChI: InChI=1S/C21H19N3O4S/c25-18(23-17-8-3-6-14-5-1-2-7-16(14)17)12-28-20(27)11-15-13-29-21(22-15)24-10-4-9-19(24)26/h1-3,5-8,13H,4,9-12H2,(H,23,25)
• InChIKey: NZQTVTOLNJRZLR-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 88.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.47
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate?

The IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate (CID 8667697) is [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate.

What is the SMILES notation for [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate?

The canonical SMILES for [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate is O=C(COC(=O)Cc1csc(N2CCCC2=O)n1)Nc1cccc2ccccc12.

What is the InChIKey of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate?

The InChIKey is NZQTVTOLNJRZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c25-18(23-17-8-3-6-14-5-1-2-7-16(14)17)12-28-20(27)11-15-13-29-21(22-15)24-10-4-9-19(24)26/h1-3,5-8,13H,4,9-12H2,(H,23,25).

What are the key properties of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate?

[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate has a molecular weight of 409.47 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 8667697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).