[4-(2-ethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone

C₁₅H₂₁N₃O₃S — CID 48572432

About [4-(2-ethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(2-ethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 48572432) has the molecular formula C₁₅H₂₁N₃O₃S and a molecular weight of 323.42 g/mol. Its IUPAC name is [4-(2-ethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

• Compound Name: [4-(2-ethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
• PubChem CID: 48572432
• Molecular Formula: C₁₅H₂₁N₃O₃S
• Molecular Weight: 323.42 g/mol
• Exact Mass: 323.13
• IUPAC Name: [4-(2-ethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
• SMILES: CCc1ncc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)s1
• InChI: InChI=1S/C15H21N3O3S/c1-2-13-16-10-12(22-13)15(20)18-7-5-17(6-8-18)14(19)11-4-3-9-21-11/h10-11H,2-9H2,1H3
• InChIKey: PMJSPVAXIAXLKQ-UHFFFAOYSA-N
• XLogP: 1.17
• TPSA: 62.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.42
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?

The IUPAC name of [4-(2-ethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 48572432) is [4-(2-ethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone.

What is the SMILES notation for [4-(2-ethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?

The canonical SMILES for [4-(2-ethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone is CCc1ncc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)s1.

What is the InChIKey of [4-(2-ethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?

The InChIKey is PMJSPVAXIAXLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-2-13-16-10-12(22-13)15(20)18-7-5-17(6-8-18)14(19)11-4-3-9-21-11/h10-11H,2-9H2,1H3.

What are the key properties of [4-(2-ethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?

[4-(2-ethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 323.42 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-ethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 48572432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 48572432 — identifiers, structure, computed properties (public domain)

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