N-(6-fluoro-1,3-benzothiazol-2-yl)-4-phenoxy-N-(pyridin-2-ylmethyl)benzamide

C26H18FN3O2S — CID 41056036

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

N-(6-fluoro-1,3-benzothiazol-2-yl)-4-phenoxy-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 41056036) has the molecular formula C26H18FN3O2S and a molecular weight of 455.51 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-4-phenoxy-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
• PubChem CID: 41056036
• Molecular Formula: C26H18FN3O2S
• Molecular Weight: 455.51 g/mol
• Exact Mass: 455.11
• IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
• SMILES: O=C(c1ccc(Oc2ccccc2)cc1)N(Cc1ccccn1)c1nc2ccc(F)cc2s1
• InChI: InChI=1S/C26H18FN3O2S/c27-19-11-14-23-24(16-19)33-26(29-23)30(17-20-6-4-5-15-28-20)25(31)18-9-12-22(13-10-18)32-21-7-2-1-3-8-21/h1-16H,17H2
• InChIKey: WDHGIZVVWHNWOB-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 55.32 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.51
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-phenoxy-N-(pyridin-2-ylmethyl)benzamide (CID 41056036) is N-(6-fluoro-1,3-benzothiazol-2-yl)-4-phenoxy-N-(pyridin-2-ylmethyl)benzamide.

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

The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-4-phenoxy-N-(pyridin-2-ylmethyl)benzamide is O=C(c1ccc(Oc2ccccc2)cc1)N(Cc1ccccn1)c1nc2ccc(F)cc2s1.

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

The InChIKey is WDHGIZVVWHNWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN3O2S/c27-19-11-14-23-24(16-19)33-26(29-23)30(17-20-6-4-5-15-28-20)25(31)18-9-12-22(13-10-18)32-21-7-2-1-3-8-21/h1-16H,17H2.

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

N-(6-fluoro-1,3-benzothiazol-2-yl)-4-phenoxy-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 455.51 g/mol, XLogP of 6.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-4-phenoxy-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 41056036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).