2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide

C24H18N4O2S — CID 27845298

About 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide

2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 27845298) has the molecular formula C24H18N4O2S and a molecular weight of 426.50 g/mol. Its IUPAC name is 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
• PubChem CID: 27845298
• Molecular Formula: C24H18N4O2S
• Molecular Weight: 426.50 g/mol
• Exact Mass: 426.12
• IUPAC Name: 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
• SMILES: Cn1nc(CC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c2ccccc2c1=O
• InChI: InChI=1S/C24H18N4O2S/c1-28-23(30)19-9-5-4-8-18(19)20(27-28)13-22(29)26-24-25-21(14-31-24)17-11-10-15-6-2-3-7-16(15)12-17/h2-12,14H,13H2,1H3,(H,25,26,29)
• InChIKey: YJVXCUZRVJCPIJ-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.50
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide (CID 27845298) is 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide is Cn1nc(CC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c2ccccc2c1=O.

What is the InChIKey of 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide?

The InChIKey is YJVXCUZRVJCPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2S/c1-28-23(30)19-9-5-4-8-18(19)20(27-28)13-22(29)26-24-25-21(14-31-24)17-11-10-15-6-2-3-7-16(15)12-17/h2-12,14H,13H2,1H3,(H,25,26,29).

What are the key properties of 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide?

2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 426.50 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 27845298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).