3-ethyl-3-methyl-6-propan-2-yl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione

C15H23N3O2S — CID 64973282

About 3-ethyl-3-methyl-6-propan-2-yl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione

3-ethyl-3-methyl-6-propan-2-yl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione (PubChem CID 64973282) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 3-ethyl-3-methyl-6-propan-2-yl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

• Compound Name: 3-ethyl-3-methyl-6-propan-2-yl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
• PubChem CID: 64973282
• Molecular Formula: C15H23N3O2S
• Molecular Weight: 309.44 g/mol
• Exact Mass: 309.15
• IUPAC Name: 3-ethyl-3-methyl-6-propan-2-yl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
• SMILES: CCC1(C)NC(=O)C(C(C)C)N(C(C)c2nccs2)C1=O
• InChI: InChI=1S/C15H23N3O2S/c1-6-15(5)14(20)18(10(4)13-16-7-8-21-13)11(9(2)3)12(19)17-15/h7-11H,6H2,1-5H3,(H,17,19)
• InChIKey: CGPBXSTXRQYIBW-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.44
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-6-propan-2-yl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?

The IUPAC name of 3-ethyl-3-methyl-6-propan-2-yl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione (CID 64973282) is 3-ethyl-3-methyl-6-propan-2-yl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione.

What is the SMILES notation for 3-ethyl-3-methyl-6-propan-2-yl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?

The canonical SMILES for 3-ethyl-3-methyl-6-propan-2-yl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione is CCC1(C)NC(=O)C(C(C)C)N(C(C)c2nccs2)C1=O.

What is the InChIKey of 3-ethyl-3-methyl-6-propan-2-yl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?

The InChIKey is CGPBXSTXRQYIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-6-15(5)14(20)18(10(4)13-16-7-8-21-13)11(9(2)3)12(19)17-15/h7-11H,6H2,1-5H3,(H,17,19).

What are the key properties of 3-ethyl-3-methyl-6-propan-2-yl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?

3-ethyl-3-methyl-6-propan-2-yl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione has a molecular weight of 309.44 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-3-methyl-6-propan-2-yl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64973282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).