N-(2-methoxyethyl)-N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-phenylprop-2-enamide

C26H27N3O2S — CID 3601788

About N-(2-methoxyethyl)-N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-phenylprop-2-enamide

N-(2-methoxyethyl)-N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-phenylprop-2-enamide (PubChem CID 3601788) has the molecular formula C26H27N3O2S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-phenylprop-2-enamide.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-phenylprop-2-enamide
• PubChem CID: 3601788
• Molecular Formula: C26H27N3O2S
• Molecular Weight: 445.59 g/mol
• Exact Mass: 445.18
• IUPAC Name: N-(2-methoxyethyl)-N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-phenylprop-2-enamide
• SMILES: COCCN(CCc1csc2nc(-c3ccc(C)cc3)cn12)C(=O)C=Cc1ccccc1
• InChI: InChI=1S/C26H27N3O2S/c1-20-8-11-22(12-9-20)24-18-29-23(19-32-26(29)27-24)14-15-28(16-17-31-2)25(30)13-10-21-6-4-3-5-7-21/h3-13,18-19H,14-17H2,1-2H3
• InChIKey: XCNHFYZQLRCYKZ-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.59
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-phenylprop-2-enamide?

The IUPAC name of N-(2-methoxyethyl)-N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-phenylprop-2-enamide (CID 3601788) is N-(2-methoxyethyl)-N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-phenylprop-2-enamide.

What is the SMILES notation for N-(2-methoxyethyl)-N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-phenylprop-2-enamide?

The canonical SMILES for N-(2-methoxyethyl)-N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-phenylprop-2-enamide is COCCN(CCc1csc2nc(-c3ccc(C)cc3)cn12)C(=O)C=Cc1ccccc1.

What is the InChIKey of N-(2-methoxyethyl)-N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-phenylprop-2-enamide?

The InChIKey is XCNHFYZQLRCYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2S/c1-20-8-11-22(12-9-20)24-18-29-23(19-32-26(29)27-24)14-15-28(16-17-31-2)25(30)13-10-21-6-4-3-5-7-21/h3-13,18-19H,14-17H2,1-2H3.

What are the key properties of N-(2-methoxyethyl)-N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-phenylprop-2-enamide?

N-(2-methoxyethyl)-N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-phenylprop-2-enamide has a molecular weight of 445.59 g/mol, XLogP of 5.10, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 3601788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).