2-naphthalen-1-yl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide

C25H22N2OS — CID 4550540

About 2-naphthalen-1-yl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide

2-naphthalen-1-yl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 4550540) has the molecular formula C25H22N2OS and a molecular weight of 398.53 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-naphthalen-1-yl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
• PubChem CID: 4550540
• Molecular Formula: C25H22N2OS
• Molecular Weight: 398.53 g/mol
• Exact Mass: 398.15
• IUPAC Name: 2-naphthalen-1-yl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
• SMILES: O=C(Cc1cccc2ccccc12)Nc1nc(-c2ccc3c(c2)CCCC3)cs1
• InChI: InChI=1S/C25H22N2OS/c28-24(15-20-10-5-9-18-7-3-4-11-22(18)20)27-25-26-23(16-29-25)21-13-12-17-6-1-2-8-19(17)14-21/h3-5,7,9-14,16H,1-2,6,8,15H2,(H,26,27,28)
• InChIKey: SJWMFTDPMRALKZ-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 41.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.53
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 2-naphthalen-1-yl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide (CID 4550540) is 2-naphthalen-1-yl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 2-naphthalen-1-yl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 2-naphthalen-1-yl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide is O=C(Cc1cccc2ccccc12)Nc1nc(-c2ccc3c(c2)CCCC3)cs1.

What is the InChIKey of 2-naphthalen-1-yl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide?

The InChIKey is SJWMFTDPMRALKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2OS/c28-24(15-20-10-5-9-18-7-3-4-11-22(18)20)27-25-26-23(16-29-25)21-13-12-17-6-1-2-8-19(17)14-21/h3-5,7,9-14,16H,1-2,6,8,15H2,(H,26,27,28).

What are the key properties of 2-naphthalen-1-yl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide?

2-naphthalen-1-yl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 398.53 g/mol, XLogP of 6.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-1-yl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 4550540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).