N-benzyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide

C23H23N3OS — CID 42788719

About N-benzyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide

N-benzyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide (PubChem CID 42788719) has the molecular formula C23H23N3OS and a molecular weight of 389.52 g/mol. Its IUPAC name is N-benzyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide.

Molecular Properties

• Compound Name: N-benzyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide
• PubChem CID: 42788719
• Molecular Formula: C23H23N3OS
• Molecular Weight: 389.52 g/mol
• Exact Mass: 389.16
• IUPAC Name: N-benzyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide
• SMILES: CCC(=O)N(CCc1csc2nc(-c3ccccc3)cn12)Cc1ccccc1
• InChI: InChI=1S/C23H23N3OS/c1-2-22(27)25(15-18-9-5-3-6-10-18)14-13-20-17-28-23-24-21(16-26(20)23)19-11-7-4-8-12-19/h3-12,16-17H,2,13-15H2,1H3
• InChIKey: PCZSBJFKLDDIPQ-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 37.61 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	389.52
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide?

The IUPAC name of N-benzyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide (CID 42788719) is N-benzyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide.

What is the SMILES notation for N-benzyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide?

The canonical SMILES for N-benzyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide is CCC(=O)N(CCc1csc2nc(-c3ccccc3)cn12)Cc1ccccc1.

What is the InChIKey of N-benzyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide?

The InChIKey is PCZSBJFKLDDIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3OS/c1-2-22(27)25(15-18-9-5-3-6-10-18)14-13-20-17-28-23-24-21(16-26(20)23)19-11-7-4-8-12-19/h3-12,16-17H,2,13-15H2,1H3.

What are the key properties of N-benzyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide?

N-benzyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide has a molecular weight of 389.52 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 42788719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).