2-(2-cyanophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide

C16H10FN3O2S — CID 7733369

IUPAC2-(2-cyanophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
SMILESN#Cc1ccccc1OCC(=O)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C16H10FN3O2S/c17-11-5-6-12-14(7-11)23-16(19-12)20-15(21)9-22-13-4-2-1-3-10(13)8-18/h1-7H,9H2,(H,19,20,21)
InChIKeyYBMBVYUWTKZOOU-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.32
Rot. Bonds4

About 2-(2-cyanophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide

2-(2-cyanophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 7733369) has the molecular formula C16H10FN3O2S and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
PubChem CID7733369
Molecular FormulaC16H10FN3O2S
Molecular Weight327.34 g/mol
Exact Mass327.05
IUPAC Name2-(2-cyanophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
SMILESN#Cc1ccccc1OCC(=O)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C16H10FN3O2S/c17-11-5-6-12-14(7-11)23-16(19-12)20-15(21)9-22-13-4-2-1-3-10(13)8-18/h1-7H,9H2,(H,19,20,21)
InChIKeyYBMBVYUWTKZOOU-UHFFFAOYSA-N
XLogP3.32
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 953564
2-(4-benzoylphenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 2550667
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(5-methyl-2-nitrophenoxy)acetamide
CID 51184950
2-(2-fluorophenoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide
CID 7948442
2-(2-cyanophenoxy)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 26723131
2-(2-cyanophenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 18292317
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(2,4-difluorophenoxy)acetamide
CID 55969597
2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 16547554
2-(2-cyanophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 9247174
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide
CID 2549979
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2-ethoxyphenoxy)acetamide
CID 53268881
2-(2-cyanophenoxy)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide
CID 71985123

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide (CID 7733369) is 2-(2-cyanophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide is N#Cc1ccccc1OCC(=O)Nc1nc2ccc(F)cc2s1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is YBMBVYUWTKZOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O2S/c17-11-5-6-12-14(7-11)23-16(19-12)20-15(21)9-22-13-4-2-1-3-10(13)8-18/h1-7H,9H2,(H,19,20,21).
What are the key properties of 2-(2-cyanophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
2-(2-cyanophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 327.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 7733369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).