3-cyclopentyl-N-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide

C30H31N3O2S — CID 5240199

About 3-cyclopentyl-N-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide

3-cyclopentyl-N-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide (PubChem CID 5240199) has the molecular formula C30H31N3O2S and a molecular weight of 497.66 g/mol. Its IUPAC name is 3-cyclopentyl-N-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide.

Molecular Properties

• Compound Name: 3-cyclopentyl-N-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide
• PubChem CID: 5240199
• Molecular Formula: C30H31N3O2S
• Molecular Weight: 497.66 g/mol
• Exact Mass: 497.21
• IUPAC Name: 3-cyclopentyl-N-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide
• SMILES: O=C(CCC1CCCC1)N(CCc1csc2nc(-c3ccc4ccccc4c3)cn12)Cc1ccco1
• InChI: InChI=1S/C30H31N3O2S/c34-29(14-11-22-6-1-2-7-22)32(19-27-10-5-17-35-27)16-15-26-21-36-30-31-28(20-33(26)30)25-13-12-23-8-3-4-9-24(23)18-25/h3-5,8-10,12-13,17-18,20-22H,1-2,6-7,11,14-16,19H2
• InChIKey: ABISNDVYFNYLGS-UHFFFAOYSA-N
• XLogP: 7.35
• TPSA: 50.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.66
LogP ≤ 5	7.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide?

The IUPAC name of 3-cyclopentyl-N-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide (CID 5240199) is 3-cyclopentyl-N-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide.

What is the SMILES notation for 3-cyclopentyl-N-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide?

The canonical SMILES for 3-cyclopentyl-N-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide is O=C(CCC1CCCC1)N(CCc1csc2nc(-c3ccc4ccccc4c3)cn12)Cc1ccco1.

What is the InChIKey of 3-cyclopentyl-N-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide?

The InChIKey is ABISNDVYFNYLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O2S/c34-29(14-11-22-6-1-2-7-22)32(19-27-10-5-17-35-27)16-15-26-21-36-30-31-28(20-33(26)30)25-13-12-23-8-3-4-9-24(23)18-25/h3-5,8-10,12-13,17-18,20-22H,1-2,6-7,11,14-16,19H2.

What are the key properties of 3-cyclopentyl-N-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide?

3-cyclopentyl-N-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide has a molecular weight of 497.66 g/mol, XLogP of 7.35, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-N-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 5240199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).