N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide

C24H21F2N3OS — CID 41362900

About N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 41362900) has the molecular formula C24H21F2N3OS and a molecular weight of 437.52 g/mol. Its IUPAC name is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide
• PubChem CID: 41362900
• Molecular Formula: C24H21F2N3OS
• Molecular Weight: 437.52 g/mol
• Exact Mass: 437.14
• IUPAC Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide
• SMILES: CC(C)c1ccc(CC(=O)N(Cc2cccnc2)c2nc3c(F)cc(F)cc3s2)cc1
• InChI: InChI=1S/C24H21F2N3OS/c1-15(2)18-7-5-16(6-8-18)10-22(30)29(14-17-4-3-9-27-13-17)24-28-23-20(26)11-19(25)12-21(23)31-24/h3-9,11-13,15H,10,14H2,1-2H3
• InChIKey: KVSWPMHGBVRFMB-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 46.09 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.52
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide (CID 41362900) is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide.

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

The canonical SMILES for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide is CC(C)c1ccc(CC(=O)N(Cc2cccnc2)c2nc3c(F)cc(F)cc3s2)cc1.

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

The InChIKey is KVSWPMHGBVRFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3OS/c1-15(2)18-7-5-16(6-8-18)10-22(30)29(14-17-4-3-9-27-13-17)24-28-23-20(26)11-19(25)12-21(23)31-24/h3-9,11-13,15H,10,14H2,1-2H3.

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

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 437.52 g/mol, XLogP of 5.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 41362900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).