2-[1,3-benzothiazol-2-yl(methyl)amino]-N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]acetamide

C23H27FN4O2S — CID 154839512

About 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]acetamide

2-[1,3-benzothiazol-2-yl(methyl)amino]-N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]acetamide (PubChem CID 154839512) has the molecular formula C23H27FN4O2S and a molecular weight of 442.56 g/mol. Its IUPAC name is 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]acetamide
• PubChem CID: 154839512
• Molecular Formula: C23H27FN4O2S
• Molecular Weight: 442.56 g/mol
• Exact Mass: 442.18
• IUPAC Name: 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]acetamide
• SMILES: CC(NC(=O)CN(C)c1nc2ccccc2s1)c1cc(F)ccc1N1CCC(O)CC1
• InChI: InChI=1S/C23H27FN4O2S/c1-15(18-13-16(24)7-8-20(18)28-11-9-17(29)10-12-28)25-22(30)14-27(2)23-26-19-5-3-4-6-21(19)31-23/h3-8,13,15,17,29H,9-12,14H2,1-2H3,(H,25,30)
• InChIKey: RJNLOBXYLAWNCR-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 68.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.56
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]acetamide?

The IUPAC name of 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]acetamide (CID 154839512) is 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]acetamide.

What is the SMILES notation for 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]acetamide?

The canonical SMILES for 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]acetamide is CC(NC(=O)CN(C)c1nc2ccccc2s1)c1cc(F)ccc1N1CCC(O)CC1.

What is the InChIKey of 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]acetamide?

The InChIKey is RJNLOBXYLAWNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2S/c1-15(18-13-16(24)7-8-20(18)28-11-9-17(29)10-12-28)25-22(30)14-27(2)23-26-19-5-3-4-6-21(19)31-23/h3-8,13,15,17,29H,9-12,14H2,1-2H3,(H,25,30).

What are the key properties of 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]acetamide?

2-[1,3-benzothiazol-2-yl(methyl)amino]-N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]acetamide has a molecular weight of 442.56 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 154839512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).