N-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide

C16H14N2O2S — CID 7698043

IUPACN-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCc2nc3ccccc3s2)c1
InChIInChI=1S/C16H14N2O2S/c1-11(19)17-12-5-4-6-13(9-12)20-10-16-18-14-7-2-3-8-15(14)21-16/h2-9H,10H2,1H3,(H,17,19)
InChIKeyMLPYZPHLGNVRFR-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.83
Rot. Bonds4

About N-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide

N-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide (PubChem CID 7698043) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide
PubChem CID7698043
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCc2nc3ccccc3s2)c1
InChIInChI=1S/C16H14N2O2S/c1-11(19)17-12-5-4-6-13(9-12)20-10-16-18-14-7-2-3-8-15(14)21-16/h2-9H,10H2,1H3,(H,17,19)
InChIKeyMLPYZPHLGNVRFR-UHFFFAOYSA-N
XLogP3.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-ethylphenyl]acetamide
CID 18932135
N-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide
CID 7506157
propan-2-yl 2-acetamido-5-(1,3-benzothiazol-2-ylmethoxy)benzoate
CID 18932317
1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-3-(3-chlorophenyl)urea
CID 980457
2-[(3-iodophenoxy)methyl]-1,3-benzothiazole
CID 113218110
dimethyl 5-(1,3-benzothiazol-2-ylmethoxy)benzene-1,3-dicarboxylate
CID 7643399
propan-2-yl 5-acetamido-2-(1,3-benzothiazol-2-ylmethoxy)benzoate
CID 18932112
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 33499249
1-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine
CID 104630920
N-[3-(2-anilino-2-oxoethoxy)phenyl]-5-(1,3-benzothiazol-2-yl)pentanamide
CID 55901194
[4-(1,3-benzothiazol-2-ylmethoxy)phenyl] N-methylcarbamate
CID 22442661
N-[4-(3-acetamidophenoxy)but-2-ynyl]-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 90577174

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide (CID 7698043) is N-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide is CC(=O)Nc1cccc(OCc2nc3ccccc3s2)c1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide?
The InChIKey is MLPYZPHLGNVRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-11(19)17-12-5-4-6-13(9-12)20-10-16-18-14-7-2-3-8-15(14)21-16/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of N-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide?
N-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide has a molecular weight of 298.37 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 7698043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).