N-(6-ethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)acetamide

C27H23N3OS — CID 16849709

About N-(6-ethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)acetamide

N-(6-ethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 16849709) has the molecular formula C27H23N3OS and a molecular weight of 437.57 g/mol. Its IUPAC name is N-(6-ethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)acetamide
• PubChem CID: 16849709
• Molecular Formula: C27H23N3OS
• Molecular Weight: 437.57 g/mol
• Exact Mass: 437.16
• IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)acetamide
• SMILES: CCc1ccc2nc(N(Cc3cccnc3)C(=O)Cc3ccc4ccccc4c3)sc2c1
• InChI: InChI=1S/C27H23N3OS/c1-2-19-10-12-24-25(15-19)32-27(29-24)30(18-21-6-5-13-28-17-21)26(31)16-20-9-11-22-7-3-4-8-23(22)14-20/h3-15,17H,2,16,18H2,1H3
• InChIKey: ZHOYDCOKGIAEPO-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 46.09 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.57
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)acetamide?

The IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)acetamide (CID 16849709) is N-(6-ethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)acetamide.

What is the SMILES notation for N-(6-ethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)acetamide?

The canonical SMILES for N-(6-ethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)acetamide is CCc1ccc2nc(N(Cc3cccnc3)C(=O)Cc3ccc4ccccc4c3)sc2c1.

What is the InChIKey of N-(6-ethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)acetamide?

The InChIKey is ZHOYDCOKGIAEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3OS/c1-2-19-10-12-24-25(15-19)32-27(29-24)30(18-21-6-5-13-28-17-21)26(31)16-20-9-11-22-7-3-4-8-23(22)14-20/h3-15,17H,2,16,18H2,1H3.

What are the key properties of N-(6-ethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)acetamide?

N-(6-ethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 437.57 g/mol, XLogP of 6.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-ethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 16849709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).