N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)acetamide

C27H20FN3OS — CID 43986876

About N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)acetamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 43986876) has the molecular formula C27H20FN3OS and a molecular weight of 453.54 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)acetamide
• PubChem CID: 43986876
• Molecular Formula: C27H20FN3OS
• Molecular Weight: 453.54 g/mol
• Exact Mass: 453.13
• IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)acetamide
• SMILES: O=C(Cc1ccc(-c2ccccc2)cc1)N(Cc1ccccn1)c1nc2ccc(F)cc2s1
• InChI: InChI=1S/C27H20FN3OS/c28-22-13-14-24-25(17-22)33-27(30-24)31(18-23-8-4-5-15-29-23)26(32)16-19-9-11-21(12-10-19)20-6-2-1-3-7-20/h1-15,17H,16,18H2
• InChIKey: LHLAGANKPVQZJE-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 46.09 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.54
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)acetamide?

The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)acetamide (CID 43986876) is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)acetamide.

What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)acetamide?

The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)acetamide is O=C(Cc1ccc(-c2ccccc2)cc1)N(Cc1ccccn1)c1nc2ccc(F)cc2s1.

What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)acetamide?

The InChIKey is LHLAGANKPVQZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN3OS/c28-22-13-14-24-25(17-22)33-27(30-24)31(18-23-8-4-5-15-29-23)26(32)16-19-9-11-21(12-10-19)20-6-2-1-3-7-20/h1-15,17H,16,18H2.

What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)acetamide?

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 453.54 g/mol, XLogP of 6.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 43986876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).