N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide

C18H16N6OS — CID 43967422

About N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide

N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 43967422) has the molecular formula C18H16N6OS and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

• Compound Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide
• PubChem CID: 43967422
• Molecular Formula: C18H16N6OS
• Molecular Weight: 364.43 g/mol
• Exact Mass: 364.11
• IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide
• SMILES: Cc1cccc2sc(N(Cc3cccnc3)C(=O)Cn3cncn3)nc12
• InChI: InChI=1S/C18H16N6OS/c1-13-4-2-6-15-17(13)22-18(26-15)24(9-14-5-3-7-19-8-14)16(25)10-23-12-20-11-21-23/h2-8,11-12H,9-10H2,1H3
• InChIKey: SNVQIJUDWHKXDU-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 76.80 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.43
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide?

The IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide (CID 43967422) is N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide.

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

The canonical SMILES for N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide is Cc1cccc2sc(N(Cc3cccnc3)C(=O)Cn3cncn3)nc12.

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

The InChIKey is SNVQIJUDWHKXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS/c1-13-4-2-6-15-17(13)22-18(26-15)24(9-14-5-3-7-19-8-14)16(25)10-23-12-20-11-21-23/h2-8,11-12H,9-10H2,1H3.

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

N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 364.43 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 43967422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).