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

C26H18FN3O2S — CID 41055601

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

N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 41055601) has the molecular formula C26H18FN3O2S and a molecular weight of 455.51 g/mol. Its IUPAC name is N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)benzamide
• PubChem CID: 41055601
• Molecular Formula: C26H18FN3O2S
• Molecular Weight: 455.51 g/mol
• Exact Mass: 455.11
• IUPAC Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)benzamide
• SMILES: O=C(c1ccccc1Oc1ccccc1)N(Cc1ccccn1)c1nc2c(F)cccc2s1
• InChI: InChI=1S/C26H18FN3O2S/c27-21-13-8-15-23-24(21)29-26(33-23)30(17-18-9-6-7-16-28-18)25(31)20-12-4-5-14-22(20)32-19-10-2-1-3-11-19/h1-16H,17H2
• InChIKey: GHGOSGBMVITVCP-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-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)benzamide?

The IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)benzamide (CID 41055601) is N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)benzamide.

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

The canonical SMILES for N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)benzamide is O=C(c1ccccc1Oc1ccccc1)N(Cc1ccccn1)c1nc2c(F)cccc2s1.

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

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

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

N-(4-fluoro-1,3-benzothiazol-2-yl)-2-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-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 41055601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).