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

C27H27N3O2S — CID 4172947

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

N-(furan-2-ylmethyl)-2,2-dimethyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide (PubChem CID 4172947) has the molecular formula C27H27N3O2S and a molecular weight of 457.60 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2,2-dimethyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-2,2-dimethyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide
• PubChem CID: 4172947
• Molecular Formula: C27H27N3O2S
• Molecular Weight: 457.60 g/mol
• Exact Mass: 457.18
• IUPAC Name: N-(furan-2-ylmethyl)-2,2-dimethyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide
• SMILES: CC(C)(C)C(=O)N(CCc1csc2nc(-c3ccc4ccccc4c3)cn12)Cc1ccco1
• InChI: InChI=1S/C27H27N3O2S/c1-27(2,3)25(31)29(16-23-9-6-14-32-23)13-12-22-18-33-26-28-24(17-30(22)26)21-11-10-19-7-4-5-8-20(19)15-21/h4-11,14-15,17-18H,12-13,16H2,1-3H3
• InChIKey: CXOWSZMIINUTGI-UHFFFAOYSA-N
• XLogP: 6.43
• TPSA: 50.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.60
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(furan-2-ylmethyl)-2,2-dimethyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide (CID 4172947) is N-(furan-2-ylmethyl)-2,2-dimethyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide.

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

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

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

The InChIKey is CXOWSZMIINUTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2S/c1-27(2,3)25(31)29(16-23-9-6-14-32-23)13-12-22-18-33-26-28-24(17-30(22)26)21-11-10-19-7-4-5-8-20(19)15-21/h4-11,14-15,17-18H,12-13,16H2,1-3H3.

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

N-(furan-2-ylmethyl)-2,2-dimethyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide has a molecular weight of 457.60 g/mol, XLogP of 6.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-2,2-dimethyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 4172947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).