N-(4-anilinophenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide

C29H25N3OS — CID 84565270

About N-(4-anilinophenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide

N-(4-anilinophenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide (PubChem CID 84565270) has the molecular formula C29H25N3OS and a molecular weight of 463.61 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-anilinophenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
• PubChem CID: 84565270
• Molecular Formula: C29H25N3OS
• Molecular Weight: 463.61 g/mol
• Exact Mass: 463.17
• IUPAC Name: N-(4-anilinophenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
• SMILES: Cc1nc(Cc2cccc3ccccc23)sc1CC(=O)Nc1ccc(Nc2ccccc2)cc1
• InChI: InChI=1S/C29H25N3OS/c1-20-27(34-29(30-20)18-22-10-7-9-21-8-5-6-13-26(21)22)19-28(33)32-25-16-14-24(15-17-25)31-23-11-3-2-4-12-23/h2-17,31H,18-19H2,1H3,(H,32,33)
• InChIKey: NYJNKQHROVLIPV-UHFFFAOYSA-N
• XLogP: 7.12
• TPSA: 54.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.61
LogP ≤ 5	7.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide?

The IUPAC name of N-(4-anilinophenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide (CID 84565270) is N-(4-anilinophenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide.

What is the SMILES notation for N-(4-anilinophenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide?

The canonical SMILES for N-(4-anilinophenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide is Cc1nc(Cc2cccc3ccccc23)sc1CC(=O)Nc1ccc(Nc2ccccc2)cc1.

What is the InChIKey of N-(4-anilinophenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide?

The InChIKey is NYJNKQHROVLIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3OS/c1-20-27(34-29(30-20)18-22-10-7-9-21-8-5-6-13-26(21)22)19-28(33)32-25-16-14-24(15-17-25)31-23-11-3-2-4-12-23/h2-17,31H,18-19H2,1H3,(H,32,33).

What are the key properties of N-(4-anilinophenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide?

N-(4-anilinophenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide has a molecular weight of 463.61 g/mol, XLogP of 7.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-anilinophenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 84565270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).