N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

C23H16N4OS2 — CID 16563450

About N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 16563450) has the molecular formula C23H16N4OS2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
• PubChem CID: 16563450
• Molecular Formula: C23H16N4OS2
• Molecular Weight: 428.54 g/mol
• Exact Mass: 428.08
• IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
• SMILES: O=C(Cc1csc(-c2ccccn2)n1)Nc1ccccc1-c1nc2ccccc2s1
• InChI: InChI=1S/C23H16N4OS2/c28-21(13-15-14-29-23(25-15)19-10-5-6-12-24-19)26-17-8-2-1-7-16(17)22-27-18-9-3-4-11-20(18)30-22/h1-12,14H,13H2,(H,26,28)
• InChIKey: UEXUKZUNJYUNBJ-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 67.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.54
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?

The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (CID 16563450) is N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?

The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2ccccn2)n1)Nc1ccccc1-c1nc2ccccc2s1.

What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?

The InChIKey is UEXUKZUNJYUNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4OS2/c28-21(13-15-14-29-23(25-15)19-10-5-6-12-24-19)26-17-8-2-1-7-16(17)22-27-18-9-3-4-11-20(18)30-22/h1-12,14H,13H2,(H,26,28).

What are the key properties of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?

N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 428.54 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 16563450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).