N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide

C22H23FN4O3S — CID 35271725

About N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide (PubChem CID 35271725) has the molecular formula C22H23FN4O3S and a molecular weight of 442.52 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide.

Molecular Properties

• Compound Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide
• PubChem CID: 35271725
• Molecular Formula: C22H23FN4O3S
• Molecular Weight: 442.52 g/mol
• Exact Mass: 442.15
• IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide
• SMILES: COc1ccccc1N1CCN(C(=O)CCC(=O)Nc2nc3ccc(F)cc3s2)CC1
• InChI: InChI=1S/C22H23FN4O3S/c1-30-18-5-3-2-4-17(18)26-10-12-27(13-11-26)21(29)9-8-20(28)25-22-24-16-7-6-15(23)14-19(16)31-22/h2-7,14H,8-13H2,1H3,(H,24,25,28)
• InChIKey: FNEXWSCAIPZMJV-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.52
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide?

The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide (CID 35271725) is N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide.

What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide?

The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide is COc1ccccc1N1CCN(C(=O)CCC(=O)Nc2nc3ccc(F)cc3s2)CC1.

What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide?

The InChIKey is FNEXWSCAIPZMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3S/c1-30-18-5-3-2-4-17(18)26-10-12-27(13-11-26)21(29)9-8-20(28)25-22-24-16-7-6-15(23)14-19(16)31-22/h2-7,14H,8-13H2,1H3,(H,24,25,28).

What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide?

N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide has a molecular weight of 442.52 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide is sourced from PubChem (CID 35271725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).