N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-2-phenylacetamide

C26H22ClN3O2S — CID 42793057

About N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-2-phenylacetamide

N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-2-phenylacetamide (PubChem CID 42793057) has the molecular formula C26H22ClN3O2S and a molecular weight of 476.00 g/mol. Its IUPAC name is N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-2-phenylacetamide
• PubChem CID: 42793057
• Molecular Formula: C26H22ClN3O2S
• Molecular Weight: 476.00 g/mol
• Exact Mass: 475.11
• IUPAC Name: N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-2-phenylacetamide
• SMILES: O=C(Cc1ccccc1)N(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)Cc1ccco1
• InChI: InChI=1S/C26H22ClN3O2S/c27-21-10-8-20(9-11-21)24-17-30-22(18-33-26(30)28-24)12-13-29(16-23-7-4-14-32-23)25(31)15-19-5-2-1-3-6-19/h1-11,14,17-18H,12-13,15-16H2
• InChIKey: JJOLOPGFBMDBGG-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 50.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.00
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-2-phenylacetamide?

The IUPAC name of N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-2-phenylacetamide (CID 42793057) is N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-2-phenylacetamide.

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

The canonical SMILES for N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-2-phenylacetamide is O=C(Cc1ccccc1)N(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)Cc1ccco1.

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

The InChIKey is JJOLOPGFBMDBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O2S/c27-21-10-8-20(9-11-21)24-17-30-22(18-33-26(30)28-24)12-13-29(16-23-7-4-14-32-23)25(31)15-19-5-2-1-3-6-19/h1-11,14,17-18H,12-13,15-16H2.

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

N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-2-phenylacetamide has a molecular weight of 476.00 g/mol, XLogP of 6.12, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-2-phenylacetamide is sourced from PubChem (CID 42793057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).