2-(2-fluorophenoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide

C21H15FN2O3S — CID 7948442

IUPAC2-(2-fluorophenoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(COc1ccccc1F)Nc1nc2ccc(Oc3ccccc3)cc2s1
InChIInChI=1S/C21H15FN2O3S/c22-16-8-4-5-9-18(16)26-13-20(25)24-21-23-17-11-10-15(12-19(17)28-21)27-14-6-2-1-3-7-14/h1-12H,13H2,(H,23,24,25)
InChIKeyHYBAHYRRNYYJHG-UHFFFAOYSA-N
MW394.43 g/mol
LogP5.25
Rot. Bonds6

About 2-(2-fluorophenoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide

2-(2-fluorophenoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 7948442) has the molecular formula C21H15FN2O3S and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID7948442
Molecular FormulaC21H15FN2O3S
Molecular Weight394.43 g/mol
Exact Mass394.08
IUPAC Name2-(2-fluorophenoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(COc1ccccc1F)Nc1nc2ccc(Oc3ccccc3)cc2s1
InChIInChI=1S/C21H15FN2O3S/c22-16-8-4-5-9-18(16)26-13-20(25)24-21-23-17-11-10-15(12-19(17)28-21)27-14-6-2-1-3-7-14/h1-12H,13H2,(H,23,24,25)
InChIKeyHYBAHYRRNYYJHG-UHFFFAOYSA-N
XLogP5.25
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-phenoxyphenoxy)acetamide
CID 2347857
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 953564
N-(6-phenoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 7948419
2-(4-benzoylphenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 2550667
2-(2-iodophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 38878359
2-(3-aminopropoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 45267313
2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 16547554
2-(2-methylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)acetamide
CID 19213777
2-(2-cyanophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 7733369
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 18854040
2-(2-bromophenoxy)-N-(6-butoxy-1,3-benzothiazol-2-yl)acetamide
CID 19218244
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(2,4-difluorophenoxy)acetamide
CID 55969597

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide (CID 7948442) is 2-(2-fluorophenoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide is O=C(COc1ccccc1F)Nc1nc2ccc(Oc3ccccc3)cc2s1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is HYBAHYRRNYYJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O3S/c22-16-8-4-5-9-18(16)26-13-20(25)24-21-23-17-11-10-15(12-19(17)28-21)27-14-6-2-1-3-7-14/h1-12H,13H2,(H,23,24,25).
What are the key properties of 2-(2-fluorophenoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide?
2-(2-fluorophenoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 394.43 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 7948442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).