N-[2-(2H-1,3-benzothiazol-3-yloxy)phenyl]-N-methylacetamide

C16H16N2O2S — CID 23158785

IUPACN-[2-(2H-1,3-benzothiazol-3-yloxy)phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccccc1ON1CSc2ccccc21
InChIInChI=1S/C16H16N2O2S/c1-12(19)17(2)13-7-3-5-9-15(13)20-18-11-21-16-10-6-4-8-14(16)18/h3-10H,11H2,1-2H3
InChIKeyZBUKBJFMZOCPDR-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.53
Rot. Bonds3

About N-[2-(2H-1,3-benzothiazol-3-yloxy)phenyl]-N-methylacetamide

N-[2-(2H-1,3-benzothiazol-3-yloxy)phenyl]-N-methylacetamide (PubChem CID 23158785) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[2-(2H-1,3-benzothiazol-3-yloxy)phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(2H-1,3-benzothiazol-3-yloxy)phenyl]-N-methylacetamide
PubChem CID23158785
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-[2-(2H-1,3-benzothiazol-3-yloxy)phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccccc1ON1CSc2ccccc21
InChIInChI=1S/C16H16N2O2S/c1-12(19)17(2)13-7-3-5-9-15(13)20-18-11-21-16-10-6-4-8-14(16)18/h3-10H,11H2,1-2H3
InChIKeyZBUKBJFMZOCPDR-UHFFFAOYSA-N
XLogP3.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2H-1,3-benzothiazol-3-yloxy)phenyl]-N-methylacetamide?
The IUPAC name of N-[2-(2H-1,3-benzothiazol-3-yloxy)phenyl]-N-methylacetamide (CID 23158785) is N-[2-(2H-1,3-benzothiazol-3-yloxy)phenyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(2H-1,3-benzothiazol-3-yloxy)phenyl]-N-methylacetamide?
The canonical SMILES for N-[2-(2H-1,3-benzothiazol-3-yloxy)phenyl]-N-methylacetamide is CC(=O)N(C)c1ccccc1ON1CSc2ccccc21.
What is the InChIKey of N-[2-(2H-1,3-benzothiazol-3-yloxy)phenyl]-N-methylacetamide?
The InChIKey is ZBUKBJFMZOCPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-12(19)17(2)13-7-3-5-9-15(13)20-18-11-21-16-10-6-4-8-14(16)18/h3-10H,11H2,1-2H3.
What are the key properties of N-[2-(2H-1,3-benzothiazol-3-yloxy)phenyl]-N-methylacetamide?
N-[2-(2H-1,3-benzothiazol-3-yloxy)phenyl]-N-methylacetamide has a molecular weight of 300.38 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2H-1,3-benzothiazol-3-yloxy)phenyl]-N-methylacetamide is sourced from PubChem (CID 23158785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).