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

C27H23N3OS — CID 41117444

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

N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 41117444) has the molecular formula C27H23N3OS and a molecular weight of 437.57 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-2-ylmethyl)acetamide
• PubChem CID: 41117444
• Molecular Formula: C27H23N3OS
• Molecular Weight: 437.57 g/mol
• Exact Mass: 437.16
• IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-2-ylmethyl)acetamide
• SMILES: Cc1ccc2sc(N(Cc3ccccn3)C(=O)Cc3cccc4ccccc34)nc2c1C
• InChI: InChI=1S/C27H23N3OS/c1-18-13-14-24-26(19(18)2)29-27(32-24)30(17-22-11-5-6-15-28-22)25(31)16-21-10-7-9-20-8-3-4-12-23(20)21/h3-15H,16-17H2,1-2H3
• InChIKey: MPGDSLGLRUUZJY-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 46.09 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.57
LogP ≤ 5	6.24
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-1-yl-N-(pyridin-2-ylmethyl)acetamide?

The IUPAC name of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-2-ylmethyl)acetamide (CID 41117444) is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-2-ylmethyl)acetamide.

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

The canonical SMILES for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-2-ylmethyl)acetamide is Cc1ccc2sc(N(Cc3ccccn3)C(=O)Cc3cccc4ccccc34)nc2c1C.

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

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

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

N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 437.57 g/mol, XLogP of 6.24, 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-1-yl-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 41117444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).