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

C27H25N3O2S — CID 5051801

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

N-(furan-2-ylmethyl)-4-methyl-N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide (PubChem CID 5051801) has the molecular formula C27H25N3O2S and a molecular weight of 455.58 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methyl-N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-4-methyl-N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide
• PubChem CID: 5051801
• Molecular Formula: C27H25N3O2S
• Molecular Weight: 455.58 g/mol
• Exact Mass: 455.17
• IUPAC Name: N-(furan-2-ylmethyl)-4-methyl-N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide
• SMILES: Cc1ccc(C(=O)N(CCc2csc3nc(-c4ccc(C)cc4)cn23)Cc2ccco2)cc1
• InChI: InChI=1S/C27H25N3O2S/c1-19-5-9-21(10-6-19)25-17-30-23(18-33-27(30)28-25)13-14-29(16-24-4-3-15-32-24)26(31)22-11-7-20(2)8-12-22/h3-12,15,17-18H,13-14,16H2,1-2H3
• InChIKey: CJRJLUSIZNZJMU-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 50.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.58
LogP ≤ 5	6.16
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-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide?

The IUPAC name of N-(furan-2-ylmethyl)-4-methyl-N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide (CID 5051801) is N-(furan-2-ylmethyl)-4-methyl-N-[2-[6-(4-methylphenyl)imidazo[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-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide?

The canonical SMILES for N-(furan-2-ylmethyl)-4-methyl-N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide is Cc1ccc(C(=O)N(CCc2csc3nc(-c4ccc(C)cc4)cn23)Cc2ccco2)cc1.

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

The InChIKey is CJRJLUSIZNZJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2S/c1-19-5-9-21(10-6-19)25-17-30-23(18-33-27(30)28-25)13-14-29(16-24-4-3-15-32-24)26(31)22-11-7-20(2)8-12-22/h3-12,15,17-18H,13-14,16H2,1-2H3.

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

N-(furan-2-ylmethyl)-4-methyl-N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide has a molecular weight of 455.58 g/mol, XLogP of 6.16, 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-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide is sourced from PubChem (CID 5051801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).