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

C24H17F2N3O2S — CID 155513489

IUPAC2-[4-(1,3-benzothiazol-2-yloxy)-2-fluorophenyl]-N-[(6-fluoro-1H-indol-3-yl)methyl]acetamide
SMILESO=C(Cc1ccc(Oc2nc3ccccc3s2)cc1F)NCc1c[nH]c2cc(F)ccc12
InChIInChI=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)
InChIKeyURDNGEHEARGIJN-UHFFFAOYSA-N
MW449.48 g/mol
LogP5.71
Rot. Bonds6

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 Name2-[4-(1,3-benzothiazol-2-yloxy)-2-fluorophenyl]-N-[(6-fluoro-1H-indol-3-yl)methyl]acetamide
PubChem CID155513489
Molecular FormulaC24H17F2N3O2S
Molecular Weight449.48 g/mol
Exact Mass449.10
IUPAC Name2-[4-(1,3-benzothiazol-2-yloxy)-2-fluorophenyl]-N-[(6-fluoro-1H-indol-3-yl)methyl]acetamide
SMILESO=C(Cc1ccc(Oc2nc3ccccc3s2)cc1F)NCc1c[nH]c2cc(F)ccc12
InChIInChI=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)
InChIKeyURDNGEHEARGIJN-UHFFFAOYSA-N
XLogP5.71
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.48
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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).