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N-2-Thiazolylacetamide
CAS: 2719-23-5 | C5H6N2OS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2719-23-5
Molecular Formula:
C5H6N2OS
Molecular Weight:
142.183 g/mol
Names and Synonyms:
N-2-Thiazolylacetamide
2-(Methylcarbonylamino)thiazole
N-(1,3-Thiazol-2-yl)acetamide
NSC 44844
NSC 18750
2-Acetylaminothiazole
2-Acetamido-1,3-thiazole
2-Acetamidothiazole
N-2-Thiazolylacetamide
Thiazole, 2-acetamido-
Acetamide, N-2-thiazolyl-
Identifiers:
SMILES:
CC(O)=Nc1nccs1
InChI:
InChI=1S/C5H6N2OS/c1-4(8)7-5-6-2-3-9-5/h2-3H,1H3,(H,6,7,8)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 142.18 g/mol | Legacy Database |
| cas-canonical-smile | O=C(NC1=NC=CS1)C None | Legacy Database |
| cas-inchi | InChI=1S/C5H6N2OS/c1-4(8)7-5-6-2-3-9-5/h2-3H,1H3,(H,6,7,8) None | Legacy Database |
| cas-inchi-key | InChIKey=WXPLRSVMGRAIGW-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 208 °C None | Legacy Database |
| cas-name | N-2-Thiazolylacetamide None | Legacy Database |
| LogP | 1.7510000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 142.183 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 142.020083812 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 45.480000000000004 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 37.51180000000001 | RDKit |
