3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide

C22H24ClN3OS — CID 30939795

About 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide

3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide (PubChem CID 30939795) has the molecular formula C22H24ClN3OS and a molecular weight of 413.97 g/mol. Its IUPAC name is 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide.

Molecular Properties

• Compound Name: 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
• PubChem CID: 30939795
• Molecular Formula: C22H24ClN3OS
• Molecular Weight: 413.97 g/mol
• Exact Mass: 413.13
• IUPAC Name: 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
• SMILES: O=C(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)NCCC1=CCCCC1
• InChI: InChI=1S/C22H24ClN3OS/c23-18-8-6-17(7-9-18)20-14-26-19(15-28-22(26)25-20)10-11-21(27)24-13-12-16-4-2-1-3-5-16/h4,6-9,14-15H,1-3,5,10-13H2,(H,24,27)
• InChIKey: FHHCZVYZZZEZCB-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 46.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.97
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
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 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide?

The IUPAC name of 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide (CID 30939795) is 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide.

What is the SMILES notation for 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide?

The canonical SMILES for 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide is O=C(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)NCCC1=CCCCC1.

What is the InChIKey of 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide?

The InChIKey is FHHCZVYZZZEZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3OS/c23-18-8-6-17(7-9-18)20-14-26-19(15-28-22(26)25-20)10-11-21(27)24-13-12-16-4-2-1-3-5-16/h4,6-9,14-15H,1-3,5,10-13H2,(H,24,27).

What are the key properties of 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide?

3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide has a molecular weight of 413.97 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide is sourced from PubChem (CID 30939795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).