N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide

C23H21N3OS — CID 43967247

About N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide

N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 43967247) has the molecular formula C23H21N3OS and a molecular weight of 387.51 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide
• PubChem CID: 43967247
• Molecular Formula: C23H21N3OS
• Molecular Weight: 387.51 g/mol
• Exact Mass: 387.14
• IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide
• SMILES: Cc1cccc(CC(=O)N(Cc2cccnc2)c2nc3ccc(C)cc3s2)c1
• InChI: InChI=1S/C23H21N3OS/c1-16-5-3-6-18(11-16)13-22(27)26(15-19-7-4-10-24-14-19)23-25-20-9-8-17(2)12-21(20)28-23/h3-12,14H,13,15H2,1-2H3
• InChIKey: MUCCQWMNLKFBGD-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 46.09 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	387.51
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide (CID 43967247) is N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide.

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

The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide is Cc1cccc(CC(=O)N(Cc2cccnc2)c2nc3ccc(C)cc3s2)c1.

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

The InChIKey is MUCCQWMNLKFBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3OS/c1-16-5-3-6-18(11-16)13-22(27)26(15-19-7-4-10-24-14-19)23-25-20-9-8-17(2)12-21(20)28-23/h3-12,14H,13,15H2,1-2H3.

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

N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 387.51 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 43967247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).