2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

C16H13FN2O3S — CID 16547554

IUPAC2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)COc3ccc(F)cc3)sc2c1
InChIInChI=1S/C16H13FN2O3S/c1-21-12-6-7-13-14(8-12)23-16(18-13)19-15(20)9-22-11-4-2-10(17)3-5-11/h2-8H,9H2,1H3,(H,18,19,20)
InChIKeyVKPJUAXRURSEEP-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.46
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 16547554) has the molecular formula C16H13FN2O3S and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID16547554
Molecular FormulaC16H13FN2O3S
Molecular Weight332.36 g/mol
Exact Mass332.06
IUPAC Name2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)COc3ccc(F)cc3)sc2c1
InChIInChI=1S/C16H13FN2O3S/c1-21-12-6-7-13-14(8-12)23-16(18-13)19-15(20)9-22-11-4-2-10(17)3-5-11/h2-8H,9H2,1H3,(H,18,19,20)
InChIKeyVKPJUAXRURSEEP-UHFFFAOYSA-N
XLogP3.46
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylphenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2484391
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19173855
2-(4-cyanophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 35727768
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 953564
2-(2-iodophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 38878359
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2163146
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-phenoxyphenoxy)acetamide
CID 2347857
2-(4-benzoylphenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 2550667
N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 53269183
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 18854040
2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 20906249

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (CID 16547554) is 2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is COc1ccc2nc(NC(=O)COc3ccc(F)cc3)sc2c1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is VKPJUAXRURSEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S/c1-21-12-6-7-13-14(8-12)23-16(18-13)19-15(20)9-22-11-4-2-10(17)3-5-11/h2-8H,9H2,1H3,(H,18,19,20).
What are the key properties of 2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 332.36 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 16547554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).