N-[2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide

C26H20N4O4S — CID 25282253

About N-[2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide

N-[2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide (PubChem CID 25282253) has the molecular formula C26H20N4O4S and a molecular weight of 484.54 g/mol. Its IUPAC name is N-[2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

• Compound Name: N-[2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide
• PubChem CID: 25282253
• Molecular Formula: C26H20N4O4S
• Molecular Weight: 484.54 g/mol
• Exact Mass: 484.12
• IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide
• SMILES: Cc1cc(NC(=O)COc2ccc3ccccc3c2)n(-c2nc(-c3ccc4c(c3)OCO4)cs2)n1
• InChI: InChI=1S/C26H20N4O4S/c1-16-10-24(28-25(31)13-32-20-8-6-17-4-2-3-5-18(17)11-20)30(29-16)26-27-21(14-35-26)19-7-9-22-23(12-19)34-15-33-22/h2-12,14H,13,15H2,1H3,(H,28,31)
• InChIKey: MRPQRIDHLUJCLQ-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 87.50 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	484.54
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide?

The IUPAC name of N-[2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide (CID 25282253) is N-[2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide.

What is the SMILES notation for N-[2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide?

The canonical SMILES for N-[2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide is Cc1cc(NC(=O)COc2ccc3ccccc3c2)n(-c2nc(-c3ccc4c(c3)OCO4)cs2)n1.

What is the InChIKey of N-[2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide?

The InChIKey is MRPQRIDHLUJCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O4S/c1-16-10-24(28-25(31)13-32-20-8-6-17-4-2-3-5-18(17)11-20)30(29-16)26-27-21(14-35-26)19-7-9-22-23(12-19)34-15-33-22/h2-12,14H,13,15H2,1H3,(H,28,31).

What are the key properties of N-[2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide?

N-[2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 484.54 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 25282253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).