N-(furan-2-ylmethyl)-4-methyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide

C30H25N3O2S — CID 3508560

About N-(furan-2-ylmethyl)-4-methyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide

N-(furan-2-ylmethyl)-4-methyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide (PubChem CID 3508560) has the molecular formula C30H25N3O2S and a molecular weight of 491.62 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-4-methyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide
• PubChem CID: 3508560
• Molecular Formula: C30H25N3O2S
• Molecular Weight: 491.62 g/mol
• Exact Mass: 491.17
• IUPAC Name: N-(furan-2-ylmethyl)-4-methyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide
• SMILES: Cc1ccc(C(=O)N(CCc2csc3nc(-c4ccc5ccccc5c4)cn23)Cc2ccco2)cc1
• InChI: InChI=1S/C30H25N3O2S/c1-21-8-10-23(11-9-21)29(34)32(18-27-7-4-16-35-27)15-14-26-20-36-30-31-28(19-33(26)30)25-13-12-22-5-2-3-6-24(22)17-25/h2-13,16-17,19-20H,14-15,18H2,1H3
• InChIKey: WQXKOYQGWBSEFL-UHFFFAOYSA-N
• XLogP: 7.00
• TPSA: 50.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.62
LogP ≤ 5	7.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide?

The IUPAC name of N-(furan-2-ylmethyl)-4-methyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide (CID 3508560) is N-(furan-2-ylmethyl)-4-methyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-4-methyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide?

The canonical SMILES for N-(furan-2-ylmethyl)-4-methyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide is Cc1ccc(C(=O)N(CCc2csc3nc(-c4ccc5ccccc5c4)cn23)Cc2ccco2)cc1.

What is the InChIKey of N-(furan-2-ylmethyl)-4-methyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide?

The InChIKey is WQXKOYQGWBSEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O2S/c1-21-8-10-23(11-9-21)29(34)32(18-27-7-4-16-35-27)15-14-26-20-36-30-31-28(19-33(26)30)25-13-12-22-5-2-3-6-24(22)17-25/h2-13,16-17,19-20H,14-15,18H2,1H3.

What are the key properties of N-(furan-2-ylmethyl)-4-methyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide?

N-(furan-2-ylmethyl)-4-methyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide has a molecular weight of 491.62 g/mol, XLogP of 7.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-4-methyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 3508560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).