2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone

C20H27N3OS — CID 92598280

About 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone

2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone (PubChem CID 92598280) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
• PubChem CID: 92598280
• Molecular Formula: C20H27N3OS
• Molecular Weight: 357.52 g/mol
• Exact Mass: 357.19
• IUPAC Name: 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
• SMILES: Cc1sc2c(C3CCN(C(=O)C[C@H]4C=CCC4)CC3)nc(C)n2c1C
• InChI: InChI=1S/C20H27N3OS/c1-13-14(2)25-20-19(21-15(3)23(13)20)17-8-10-22(11-9-17)18(24)12-16-6-4-5-7-16/h4,6,16-17H,5,7-12H2,1-3H3/t16-/m0/s1
• InChIKey: NPRWVKMIMOGLFB-INIZCTEOSA-N
• XLogP: 4.38
• TPSA: 37.61 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.52
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone?

The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone (CID 92598280) is 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone.

What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone?

The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone is Cc1sc2c(C3CCN(C(=O)C[C@H]4C=CCC4)CC3)nc(C)n2c1C.

What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone?

The InChIKey is NPRWVKMIMOGLFB-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-13-14(2)25-20-19(21-15(3)23(13)20)17-8-10-22(11-9-17)18(24)12-16-6-4-5-7-16/h4,6,16-17H,5,7-12H2,1-3H3/t16-/m0/s1.

What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone?

2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone has a molecular weight of 357.52 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 92598280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).