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Molecule
2-Amino-5-Methylthiazole
CAS: 7305-71-7 · C4H6N2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7305-71-7
- Molecular Formula
- C4H6N2S
- Molecular Mass
- 114.17 g/mol
Identifiers
CAS Registry Number
7305-71-7
SMILES
Cc1c[nH]c(=N)s1
InChI Key
GUABFMPMKJGSBQ-UHFFFAOYSA-N
InChI
InChI=1S/C4H6N2S/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)
Names and Synonyms
- 2-Amino-5-Methylthiazole Synonym
- 2-Thiazolamine, 5-methyl- Synonym
- Thiazole, 2-amino-5-methyl- Synonym
- 5-Methyl-2-thiazolamine Synonym
- 2-Amino-5-methylthiazole Synonym
- 5-Methyl-2-aminothiazole Synonym
- 5-Methyl-1,3-thiazol-2-ylamine Synonym
- NSC 523150 Synonym
- (5-Methylthiazol-2-yl)amine Synonym
- 5-Methyl-1,3-thiazol-2-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 114.17 g/mol | CAS Common Chemistry |
| 114.173 g/mol | RDKit | |
| 114.166 g/mol | chempirical lib | |
| Canonical SMILES | N=1C=C(SC1N)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H6N2S/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=GUABFMPMKJGSBQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 95-96.5 °C | CAS Common Chemistry |
| Name | 2-Amino-5-methylthiazole | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 39.64 Ų | RDKit |
| LogP | 0.8640899999999998 | RDKit |
| 0.8641 | RDKit | |
| 0.79 | chempirical lib | |
| Molar Refractivity | 29.2614 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 114.02516919199999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 114.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H6N2S.
