N-(2,6-dimethylphenyl)-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide

C25H23N3O2S2 — CID 16899626

About N-(2,6-dimethylphenyl)-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide

N-(2,6-dimethylphenyl)-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide (PubChem CID 16899626) has the molecular formula C25H23N3O2S2 and a molecular weight of 461.61 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-(2,6-dimethylphenyl)-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
• PubChem CID: 16899626
• Molecular Formula: C25H23N3O2S2
• Molecular Weight: 461.61 g/mol
• Exact Mass: 461.12
• IUPAC Name: N-(2,6-dimethylphenyl)-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
• SMILES: Cc1cccc(C)c1NC(=O)Cc1csc(SCC(=O)Nc2cccc3ccccc23)n1
• InChI: InChI=1S/C25H23N3O2S2/c1-16-7-5-8-17(2)24(16)28-22(29)13-19-14-31-25(26-19)32-15-23(30)27-21-12-6-10-18-9-3-4-11-20(18)21/h3-12,14H,13,15H2,1-2H3,(H,27,30)(H,28,29)
• InChIKey: HBDOTFSPEJBLAH-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.61
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide?

The IUPAC name of N-(2,6-dimethylphenyl)-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide (CID 16899626) is N-(2,6-dimethylphenyl)-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide.

What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide?

The canonical SMILES for N-(2,6-dimethylphenyl)-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide is Cc1cccc(C)c1NC(=O)Cc1csc(SCC(=O)Nc2cccc3ccccc23)n1.

What is the InChIKey of N-(2,6-dimethylphenyl)-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide?

The InChIKey is HBDOTFSPEJBLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S2/c1-16-7-5-8-17(2)24(16)28-22(29)13-19-14-31-25(26-19)32-15-23(30)27-21-12-6-10-18-9-3-4-11-20(18)21/h3-12,14H,13,15H2,1-2H3,(H,27,30)(H,28,29).

What are the key properties of N-(2,6-dimethylphenyl)-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide?

N-(2,6-dimethylphenyl)-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide has a molecular weight of 461.61 g/mol, XLogP of 5.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-dimethylphenyl)-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 16899626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).