N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide

C22H18FN3OS — CID 43986434

About N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 43986434) has the molecular formula C22H18FN3OS and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide
• PubChem CID: 43986434
• Molecular Formula: C22H18FN3OS
• Molecular Weight: 391.47 g/mol
• Exact Mass: 391.12
• IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide
• SMILES: Cc1cc(C)cc(C(=O)N(Cc2ccccn2)c2nc3ccc(F)cc3s2)c1
• InChI: InChI=1S/C22H18FN3OS/c1-14-9-15(2)11-16(10-14)21(27)26(13-18-5-3-4-8-24-18)22-25-19-7-6-17(23)12-20(19)28-22/h3-12H,13H2,1-2H3
• InChIKey: IEXRXOYAUOAKBJ-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 46.09 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	391.47
LogP ≤ 5	5.29
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)-3,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide?

The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide (CID 43986434) is N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide.

What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide?

The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide is Cc1cc(C)cc(C(=O)N(Cc2ccccn2)c2nc3ccc(F)cc3s2)c1.

What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide?

The InChIKey is IEXRXOYAUOAKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3OS/c1-14-9-15(2)11-16(10-14)21(27)26(13-18-5-3-4-8-24-18)22-25-19-7-6-17(23)12-20(19)28-22/h3-12H,13H2,1-2H3.

What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide?

N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 391.47 g/mol, XLogP of 5.29, 4 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)-3,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 43986434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).