2-[4-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]phenoxy]-N,N-diethylacetamide

C20H20ClN3O3S — CID 8815023

About 2-[4-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]phenoxy]-N,N-diethylacetamide

2-[4-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]phenoxy]-N,N-diethylacetamide (PubChem CID 8815023) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is 2-[4-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]phenoxy]-N,N-diethylacetamide.

Molecular Properties

• Compound Name: 2-[4-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]phenoxy]-N,N-diethylacetamide
• PubChem CID: 8815023
• Molecular Formula: C20H20ClN3O3S
• Molecular Weight: 417.92 g/mol
• Exact Mass: 417.09
• IUPAC Name: 2-[4-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]phenoxy]-N,N-diethylacetamide
• SMILES: CCN(CC)C(=O)COc1ccc(C(=O)/C=C/c2c(Cl)nc3sccn23)cc1
• InChI: InChI=1S/C20H20ClN3O3S/c1-3-23(4-2)18(26)13-27-15-7-5-14(6-8-15)17(25)10-9-16-19(21)22-20-24(16)11-12-28-20/h5-12H,3-4,13H2,1-2H3/b10-9+
• InChIKey: FIMAFPWFSLMAON-MDZDMXLPSA-N
• XLogP: 4.19
• TPSA: 63.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.92
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]phenoxy]-N,N-diethylacetamide?

The IUPAC name of 2-[4-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]phenoxy]-N,N-diethylacetamide (CID 8815023) is 2-[4-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]phenoxy]-N,N-diethylacetamide.

What is the SMILES notation for 2-[4-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]phenoxy]-N,N-diethylacetamide?

The canonical SMILES for 2-[4-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]phenoxy]-N,N-diethylacetamide is CCN(CC)C(=O)COc1ccc(C(=O)/C=C/c2c(Cl)nc3sccn23)cc1.

What is the InChIKey of 2-[4-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]phenoxy]-N,N-diethylacetamide?

The InChIKey is FIMAFPWFSLMAON-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c1-3-23(4-2)18(26)13-27-15-7-5-14(6-8-15)17(25)10-9-16-19(21)22-20-24(16)11-12-28-20/h5-12H,3-4,13H2,1-2H3/b10-9+.

What are the key properties of 2-[4-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]phenoxy]-N,N-diethylacetamide?

2-[4-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]phenoxy]-N,N-diethylacetamide has a molecular weight of 417.92 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]phenoxy]-N,N-diethylacetamide is sourced from PubChem (CID 8815023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).