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

C27H24ClN3O2S — CID 42793074

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

N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3-phenylpropanamide (PubChem CID 42793074) has the molecular formula C27H24ClN3O2S and a molecular weight of 490.03 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)-3-phenylpropanamide.

Molecular Properties

• Compound Name: N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3-phenylpropanamide
• PubChem CID: 42793074
• Molecular Formula: C27H24ClN3O2S
• Molecular Weight: 490.03 g/mol
• Exact Mass: 489.13
• IUPAC Name: N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3-phenylpropanamide
• SMILES: O=C(CCc1ccccc1)N(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)Cc1ccco1
• InChI: InChI=1S/C27H24ClN3O2S/c28-22-11-9-21(10-12-22)25-18-31-23(19-34-27(31)29-25)14-15-30(17-24-7-4-16-33-24)26(32)13-8-20-5-2-1-3-6-20/h1-7,9-12,16,18-19H,8,13-15,17H2
• InChIKey: SBUGURGOCPUNLQ-UHFFFAOYSA-N
• XLogP: 6.51
• TPSA: 50.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.03
LogP ≤ 5	6.51
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)-3-phenylpropanamide?

The IUPAC name of N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3-phenylpropanamide (CID 42793074) is N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3-phenylpropanamide.

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)-3-phenylpropanamide?

The canonical SMILES for N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3-phenylpropanamide is O=C(CCc1ccccc1)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)-3-phenylpropanamide?

The InChIKey is SBUGURGOCPUNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3O2S/c28-22-11-9-21(10-12-22)25-18-31-23(19-34-27(31)29-25)14-15-30(17-24-7-4-16-33-24)26(32)13-8-20-5-2-1-3-6-20/h1-7,9-12,16,18-19H,8,13-15,17H2.

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)-3-phenylpropanamide?

N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3-phenylpropanamide has a molecular weight of 490.03 g/mol, XLogP of 6.51, 9 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)-3-phenylpropanamide is sourced from PubChem (CID 42793074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).