[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate

C21H25N3O4S — CID 8667810

About [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate

[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate (PubChem CID 8667810) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

• Compound Name: [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
• PubChem CID: 8667810
• Molecular Formula: C21H25N3O4S
• Molecular Weight: 415.52 g/mol
• Exact Mass: 415.16
• IUPAC Name: [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
• SMILES: CC(C)c1ccc(NC(=O)[C@@H](C)OC(=O)Cc2csc(N3CCCC3=O)n2)cc1
• InChI: InChI=1S/C21H25N3O4S/c1-13(2)15-6-8-16(9-7-15)22-20(27)14(3)28-19(26)11-17-12-29-21(23-17)24-10-4-5-18(24)25/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,22,27)/t14-/m1/s1
• InChIKey: HKZDJJQIPKAQPG-CQSZACIVSA-N
• XLogP: 3.51
• TPSA: 88.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.52
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate?

The IUPAC name of [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate (CID 8667810) is [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate.

What is the SMILES notation for [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate?

The canonical SMILES for [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate is CC(C)c1ccc(NC(=O)[C@@H](C)OC(=O)Cc2csc(N3CCCC3=O)n2)cc1.

What is the InChIKey of [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate?

The InChIKey is HKZDJJQIPKAQPG-CQSZACIVSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-13(2)15-6-8-16(9-7-15)22-20(27)14(3)28-19(26)11-17-12-29-21(23-17)24-10-4-5-18(24)25/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,22,27)/t14-/m1/s1.

What are the key properties of [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate?

[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate has a molecular weight of 415.52 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 8667810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).