2-[4-(1,3-benzothiazol-2-yloxy)-2-fluorophenyl]-N-[(6-fluoro-1H-indol-3-yl)methyl]acetamide

C24H17F2N3O2S — CID 155513489

About 2-[4-(1,3-benzothiazol-2-yloxy)-2-fluorophenyl]-N-[(6-fluoro-1H-indol-3-yl)methyl]acetamide

2-[4-(1,3-benzothiazol-2-yloxy)-2-fluorophenyl]-N-[(6-fluoro-1H-indol-3-yl)methyl]acetamide (PubChem CID 155513489) has the molecular formula C24H17F2N3O2S and a molecular weight of 449.48 g/mol. Its IUPAC name is 2-[4-(1,3-benzothiazol-2-yloxy)-2-fluorophenyl]-N-[(6-fluoro-1H-indol-3-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-(1,3-benzothiazol-2-yloxy)-2-fluorophenyl]-N-[(6-fluoro-1H-indol-3-yl)methyl]acetamide
• PubChem CID: 155513489
• Molecular Formula: C24H17F2N3O2S
• Molecular Weight: 449.48 g/mol
• Exact Mass: 449.10
• IUPAC Name: 2-[4-(1,3-benzothiazol-2-yloxy)-2-fluorophenyl]-N-[(6-fluoro-1H-indol-3-yl)methyl]acetamide
• SMILES: O=C(Cc1ccc(Oc2nc3ccccc3s2)cc1F)NCc1c[nH]c2cc(F)ccc12
• InChI: InChI=1S/C24H17F2N3O2S/c25-16-6-8-18-15(12-27-21(18)10-16)13-28-23(30)9-14-5-7-17(11-19(14)26)31-24-29-20-3-1-2-4-22(20)32-24/h1-8,10-12,27H,9,13H2,(H,28,30)
• InChIKey: URDNGEHEARGIJN-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 67.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.48
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzothiazol-2-yloxy)-2-fluorophenyl]-N-[(6-fluoro-1H-indol-3-yl)methyl]acetamide?

The IUPAC name of 2-[4-(1,3-benzothiazol-2-yloxy)-2-fluorophenyl]-N-[(6-fluoro-1H-indol-3-yl)methyl]acetamide (CID 155513489) is 2-[4-(1,3-benzothiazol-2-yloxy)-2-fluorophenyl]-N-[(6-fluoro-1H-indol-3-yl)methyl]acetamide.

What is the SMILES notation for 2-[4-(1,3-benzothiazol-2-yloxy)-2-fluorophenyl]-N-[(6-fluoro-1H-indol-3-yl)methyl]acetamide?

The canonical SMILES for 2-[4-(1,3-benzothiazol-2-yloxy)-2-fluorophenyl]-N-[(6-fluoro-1H-indol-3-yl)methyl]acetamide is O=C(Cc1ccc(Oc2nc3ccccc3s2)cc1F)NCc1c[nH]c2cc(F)ccc12.

What is the InChIKey of 2-[4-(1,3-benzothiazol-2-yloxy)-2-fluorophenyl]-N-[(6-fluoro-1H-indol-3-yl)methyl]acetamide?

The InChIKey is URDNGEHEARGIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3O2S/c25-16-6-8-18-15(12-27-21(18)10-16)13-28-23(30)9-14-5-7-17(11-19(14)26)31-24-29-20-3-1-2-4-22(20)32-24/h1-8,10-12,27H,9,13H2,(H,28,30).

What are the key properties of 2-[4-(1,3-benzothiazol-2-yloxy)-2-fluorophenyl]-N-[(6-fluoro-1H-indol-3-yl)methyl]acetamide?

2-[4-(1,3-benzothiazol-2-yloxy)-2-fluorophenyl]-N-[(6-fluoro-1H-indol-3-yl)methyl]acetamide has a molecular weight of 449.48 g/mol, XLogP of 5.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(1,3-benzothiazol-2-yloxy)-2-fluorophenyl]-N-[(6-fluoro-1H-indol-3-yl)methyl]acetamide is sourced from PubChem (CID 155513489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).