N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide

C26H26N2O2S — CID 16849771

About N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide

N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 16849771) has the molecular formula C26H26N2O2S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide
• PubChem CID: 16849771
• Molecular Formula: C26H26N2O2S
• Molecular Weight: 430.57 g/mol
• Exact Mass: 430.17
• IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide
• SMILES: Cc1ccc2sc(N(CC3CCCO3)C(=O)Cc3ccc4ccccc4c3)nc2c1C
• InChI: InChI=1S/C26H26N2O2S/c1-17-9-12-23-25(18(17)2)27-26(31-23)28(16-22-8-5-13-30-22)24(29)15-19-10-11-20-6-3-4-7-21(20)14-19/h3-4,6-7,9-12,14,22H,5,8,13,15-16H2,1-2H3
• InChIKey: VYWFCUWKAJMUEF-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 42.43 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.57
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide?

The IUPAC name of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide (CID 16849771) is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide.

What is the SMILES notation for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide?

The canonical SMILES for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide is Cc1ccc2sc(N(CC3CCCO3)C(=O)Cc3ccc4ccccc4c3)nc2c1C.

What is the InChIKey of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide?

The InChIKey is VYWFCUWKAJMUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2S/c1-17-9-12-23-25(18(17)2)27-26(31-23)28(16-22-8-5-13-30-22)24(29)15-19-10-11-20-6-3-4-7-21(20)14-19/h3-4,6-7,9-12,14,22H,5,8,13,15-16H2,1-2H3.

What are the key properties of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide?

N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 430.57 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 16849771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).