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

C24H24ClN3O2S — CID 42793078

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

N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide (PubChem CID 42793078) has the molecular formula C24H24ClN3O2S and a molecular weight of 454.00 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)cyclopentanecarboxamide.

Molecular Properties

• Compound Name: N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide
• PubChem CID: 42793078
• Molecular Formula: C24H24ClN3O2S
• Molecular Weight: 454.00 g/mol
• Exact Mass: 453.13
• IUPAC Name: N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide
• SMILES: O=C(C1CCCC1)N(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)Cc1ccco1
• InChI: InChI=1S/C24H24ClN3O2S/c25-19-9-7-17(8-10-19)22-15-28-20(16-31-24(28)26-22)11-12-27(14-21-6-3-13-30-21)23(29)18-4-1-2-5-18/h3,6-10,13,15-16,18H,1-2,4-5,11-12,14H2
• InChIKey: OWRKXJUKTDCIDX-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 50.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.00
LogP ≤ 5	6.07
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)cyclopentanecarboxamide?

The IUPAC name of N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide (CID 42793078) is N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide.

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)cyclopentanecarboxamide?

The canonical SMILES for N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide is O=C(C1CCCC1)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)cyclopentanecarboxamide?

The InChIKey is OWRKXJUKTDCIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O2S/c25-19-9-7-17(8-10-19)22-15-28-20(16-31-24(28)26-22)11-12-27(14-21-6-3-13-30-21)23(29)18-4-1-2-5-18/h3,6-10,13,15-16,18H,1-2,4-5,11-12,14H2.

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)cyclopentanecarboxamide?

N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide has a molecular weight of 454.00 g/mol, XLogP of 6.07, 7 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)cyclopentanecarboxamide is sourced from PubChem (CID 42793078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).