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2-(2-Benzothiazolyloxy)-N-Methyl-N-Phenylacetamide
CAS: 73250-68-7 | C16H14N2O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
73250-68-7
Molecular Formula:
C16H14N2O2S
Molecular Mass:
298.37 g/mol
Names and Synonyms:
2-(2-Benzothiazolyloxy)-N-Methyl-N-Phenylacetamide
Acetamide, 2-(2-benzothiazolyloxy)-N-methyl-N-phenyl-
2-(2-Benzothiazolyloxy)-N-methyl-N-phenylacetamide
FOE 1976
Mefenacet
NTN 801
Rancho
BTMPA
2-(Benzo[d]thiazol-2-yloxy)-N-methyl-N-phenylacetamide
Identifiers:
SMILES:
CN(C(=O)COc1nc2ccccc2s1)c1ccccc1
InChI:
InChI=1S/C16H14N2O2S/c1-18(12-7-3-2-4-8-12)15(19)11-20-16-17-13-9-5-6-10-14(13)21-16/h2-10H,11H2,1H3
Key Properties
Melting Point
134.8 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 298.37 g/mol | CAS Common Chemistry |
| 298.367 g/mol | RDKit | |
| 298.077598688 g/mol | RDKit | |
| Canonical SMILES | O=C(N(C=1C=CC=CC1)C)COC2=NC=3C=CC=CC3S2 | CAS Common Chemistry |
| InChI | InChI=1S/C16H14N2O2S/c1-18(12-7-3-2-4-8-12)15(19)11-20-16-17-13-9-5-6-10-14(13)21-16/h2-10H,11H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XIGAUIHYSDTJHW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 134.8 °C | CAS Common Chemistry |
| Name | 2-(2-Benzothiazolyloxy)-N-methyl-N-phenylacetamide | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 42.43000000000001 Ų | RDKit |
| LogP | 3.3381000000000016 | RDKit |
| Molar Refractivity | 84.96700000000003 | RDKit |
