N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide

C28H30N4OS — CID 22195094

About N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 22195094) has the molecular formula C28H30N4OS and a molecular weight of 470.64 g/mol. Its IUPAC name is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
• PubChem CID: 22195094
• Molecular Formula: C28H30N4OS
• Molecular Weight: 470.64 g/mol
• Exact Mass: 470.21
• IUPAC Name: N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
• SMILES: Cc1ccc(-c2csc(NC(=O)CN3CCN(Cc4cccc5ccccc45)CC3)n2)cc1C
• InChI: InChI=1S/C28H30N4OS/c1-20-10-11-23(16-21(20)2)26-19-34-28(29-26)30-27(33)18-32-14-12-31(13-15-32)17-24-8-5-7-22-6-3-4-9-25(22)24/h3-11,16,19H,12-15,17-18H2,1-2H3,(H,29,30,33)
• InChIKey: OBCWHKKLBTXOFG-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 48.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.64
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide (CID 22195094) is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide.

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

The canonical SMILES for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide is Cc1ccc(-c2csc(NC(=O)CN3CCN(Cc4cccc5ccccc45)CC3)n2)cc1C.

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

The InChIKey is OBCWHKKLBTXOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4OS/c1-20-10-11-23(16-21(20)2)26-19-34-28(29-26)30-27(33)18-32-14-12-31(13-15-32)17-24-8-5-7-22-6-3-4-9-25(22)24/h3-11,16,19H,12-15,17-18H2,1-2H3,(H,29,30,33).

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

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 470.64 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 22195094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).