N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide

C22H16Cl2N2OS — CID 2282754

About N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide

N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide (PubChem CID 2282754) has the molecular formula C22H16Cl2N2OS and a molecular weight of 427.36 g/mol. Its IUPAC name is N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide.

Molecular Properties

• Compound Name: N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
• PubChem CID: 2282754
• Molecular Formula: C22H16Cl2N2OS
• Molecular Weight: 427.36 g/mol
• Exact Mass: 426.04
• IUPAC Name: N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
• SMILES: O=C(Cc1cccc2ccccc12)Nc1ncc(Cc2cccc(Cl)c2Cl)s1
• InChI: InChI=1S/C22H16Cl2N2OS/c23-19-10-4-8-16(21(19)24)11-17-13-25-22(28-17)26-20(27)12-15-7-3-6-14-5-1-2-9-18(14)15/h1-10,13H,11-12H2,(H,25,26,27)
• InChIKey: XLUMEZRPNDAZGK-UHFFFAOYSA-N
• XLogP: 6.38
• TPSA: 41.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.36
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide?

The IUPAC name of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide (CID 2282754) is N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide.

What is the SMILES notation for N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide?

The canonical SMILES for N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)Nc1ncc(Cc2cccc(Cl)c2Cl)s1.

What is the InChIKey of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide?

The InChIKey is XLUMEZRPNDAZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2OS/c23-19-10-4-8-16(21(19)24)11-17-13-25-22(28-17)26-20(27)12-15-7-3-6-14-5-1-2-9-18(14)15/h1-10,13H,11-12H2,(H,25,26,27).

What are the key properties of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide?

N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide has a molecular weight of 427.36 g/mol, XLogP of 6.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 2282754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).