N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(3-methoxyphenyl)triazol-1-yl]acetamide

C26H19N5O3S — CID 127048590

About N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(3-methoxyphenyl)triazol-1-yl]acetamide

N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(3-methoxyphenyl)triazol-1-yl]acetamide (PubChem CID 127048590) has the molecular formula C26H19N5O3S and a molecular weight of 481.54 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(3-methoxyphenyl)triazol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(3-methoxyphenyl)triazol-1-yl]acetamide
• PubChem CID: 127048590
• Molecular Formula: C26H19N5O3S
• Molecular Weight: 481.54 g/mol
• Exact Mass: 481.12
• IUPAC Name: N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(3-methoxyphenyl)triazol-1-yl]acetamide
• SMILES: COc1cccc(-c2cn(CC(=O)Nc3nc(-c4ccc5oc6ccccc6c5c4)cs3)nn2)c1
• InChI: InChI=1S/C26H19N5O3S/c1-33-18-6-4-5-16(11-18)21-13-31(30-29-21)14-25(32)28-26-27-22(15-35-26)17-9-10-24-20(12-17)19-7-2-3-8-23(19)34-24/h2-13,15H,14H2,1H3,(H,27,28,32)
• InChIKey: QANNCVPSXGMWPT-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 95.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.54
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(3-methoxyphenyl)triazol-1-yl]acetamide?

The IUPAC name of N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(3-methoxyphenyl)triazol-1-yl]acetamide (CID 127048590) is N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(3-methoxyphenyl)triazol-1-yl]acetamide.

What is the SMILES notation for N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(3-methoxyphenyl)triazol-1-yl]acetamide?

The canonical SMILES for N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(3-methoxyphenyl)triazol-1-yl]acetamide is COc1cccc(-c2cn(CC(=O)Nc3nc(-c4ccc5oc6ccccc6c5c4)cs3)nn2)c1.

What is the InChIKey of N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(3-methoxyphenyl)triazol-1-yl]acetamide?

The InChIKey is QANNCVPSXGMWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5O3S/c1-33-18-6-4-5-16(11-18)21-13-31(30-29-21)14-25(32)28-26-27-22(15-35-26)17-9-10-24-20(12-17)19-7-2-3-8-23(19)34-24/h2-13,15H,14H2,1H3,(H,27,28,32).

What are the key properties of N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(3-methoxyphenyl)triazol-1-yl]acetamide?

N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(3-methoxyphenyl)triazol-1-yl]acetamide has a molecular weight of 481.54 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(3-methoxyphenyl)triazol-1-yl]acetamide is sourced from PubChem (CID 127048590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).