2-(4-benzoylphenoxy)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide

C28H25N3O3S — CID 16547135

About 2-(4-benzoylphenoxy)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide

2-(4-benzoylphenoxy)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide (PubChem CID 16547135) has the molecular formula C28H25N3O3S and a molecular weight of 483.59 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-(4-benzoylphenoxy)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
• PubChem CID: 16547135
• Molecular Formula: C28H25N3O3S
• Molecular Weight: 483.59 g/mol
• Exact Mass: 483.16
• IUPAC Name: 2-(4-benzoylphenoxy)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
• SMILES: O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1nc2c(s1)CN(Cc1ccccc1)CC2
• InChI: InChI=1S/C28H25N3O3S/c32-26(19-34-23-13-11-22(12-14-23)27(33)21-9-5-2-6-10-21)30-28-29-24-15-16-31(18-25(24)35-28)17-20-7-3-1-4-8-20/h1-14H,15-19H2,(H,29,30,32)
• InChIKey: JOYZKDXKOHCPLO-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.59
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?

The IUPAC name of 2-(4-benzoylphenoxy)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide (CID 16547135) is 2-(4-benzoylphenoxy)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide.

What is the SMILES notation for 2-(4-benzoylphenoxy)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?

The canonical SMILES for 2-(4-benzoylphenoxy)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide is O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1nc2c(s1)CN(Cc1ccccc1)CC2.

What is the InChIKey of 2-(4-benzoylphenoxy)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?

The InChIKey is JOYZKDXKOHCPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O3S/c32-26(19-34-23-13-11-22(12-14-23)27(33)21-9-5-2-6-10-21)30-28-29-24-15-16-31(18-25(24)35-28)17-20-7-3-1-4-8-20/h1-14H,15-19H2,(H,29,30,32).

What are the key properties of 2-(4-benzoylphenoxy)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?

2-(4-benzoylphenoxy)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide has a molecular weight of 483.59 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-benzoylphenoxy)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide is sourced from PubChem (CID 16547135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).