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

C27H28N2OS — CID 84565325

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

N-(2-butan-2-ylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide (PubChem CID 84565325) has the molecular formula C27H28N2OS and a molecular weight of 428.60 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-butan-2-ylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
• PubChem CID: 84565325
• Molecular Formula: C27H28N2OS
• Molecular Weight: 428.60 g/mol
• Exact Mass: 428.19
• IUPAC Name: N-(2-butan-2-ylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
• SMILES: CCC(C)c1ccccc1NC(=O)Cc1sc(Cc2cccc3ccccc23)nc1C
• InChI: InChI=1S/C27H28N2OS/c1-4-18(2)22-13-7-8-15-24(22)29-26(30)17-25-19(3)28-27(31-25)16-21-12-9-11-20-10-5-6-14-23(20)21/h5-15,18H,4,16-17H2,1-3H3,(H,29,30)
• InChIKey: SYOUBQULTRYMLN-UHFFFAOYSA-N
• XLogP: 6.89
• TPSA: 41.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.60
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-(2-butan-2-ylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide (CID 84565325) is N-(2-butan-2-ylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide.

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

The canonical SMILES for N-(2-butan-2-ylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide is CCC(C)c1ccccc1NC(=O)Cc1sc(Cc2cccc3ccccc23)nc1C.

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

The InChIKey is SYOUBQULTRYMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2OS/c1-4-18(2)22-13-7-8-15-24(22)29-26(30)17-25-19(3)28-27(31-25)16-21-12-9-11-20-10-5-6-14-23(20)21/h5-15,18H,4,16-17H2,1-3H3,(H,29,30).

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

N-(2-butan-2-ylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide has a molecular weight of 428.60 g/mol, XLogP of 6.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-butan-2-ylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 84565325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).