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Molecule
N-2-Thiazolylacetamide
CAS: 2719-23-5 · C5H6N2OS
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2719-23-5
- Molecular Formula
- C5H6N2OS
- Molecular Mass
- 142.18 g/mol
Identifiers
CAS Registry Number
2719-23-5
SMILES
CC(O)=Nc1nccs1
InChI Key
WXPLRSVMGRAIGW-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2OS/c1-4(8)7-5-6-2-3-9-5/h2-3H,1H3,(H,6,7,8)
Names and Synonyms
- N-2-Thiazolylacetamide Common Name
- Acetamide, N-2-thiazolyl- Synonym
- Thiazole, 2-acetamido- Synonym
- N-2-Thiazolylacetamide Synonym
- 2-Acetamidothiazole Synonym
- 2-Acetamido-1,3-thiazole Synonym
- 2-Acetylaminothiazole Synonym
- NSC 18750 Synonym
- NSC 44844 Synonym
- N-(1,3-Thiazol-2-yl)acetamide Synonym
- 2-(Methylcarbonylamino)thiazole Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 142.18 g/mol | CAS Common Chemistry |
| 142.183 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=NC=CS1)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H6N2OS/c1-4(8)7-5-6-2-3-9-5/h2-3H,1H3,(H,6,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=WXPLRSVMGRAIGW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 208 °C | CAS Common Chemistry |
| Name | N-2-Thiazolylacetamide | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 45.480000000000004 Ų | RDKit |
| 45.48 Ų | RDKit | |
| 44.95 Ų | chempirical lib | |
| LogP | 1.7510000000000001 | RDKit |
| 1.751 | RDKit | |
| Molar Refractivity | 37.51180000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 142.020083812 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 142.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H6N2OS.
