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2-Amino-5-Methylthiazole
CAS: 7305-71-7 | C4H6N2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7305-71-7
Molecular Formula:
C4H6N2S
Molecular Mass:
114.17 g/mol
Names and Synonyms:
2-Amino-5-Methylthiazole
2-Thiazolamine, 5-methyl-
Thiazole, 2-amino-5-methyl-
5-Methyl-2-thiazolamine
2-Amino-5-methylthiazole
5-Methyl-2-aminothiazole
5-Methyl-1,3-thiazol-2-ylamine
NSC 523150
(5-Methylthiazol-2-yl)amine
5-Methyl-1,3-thiazol-2-amine
Identifiers:
SMILES:
Cc1c[nH]c(=N)s1
InChI:
InChI=1S/C4H6N2S/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)
Key Properties
Melting Point
95-96.5 °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 | 114.17 g/mol | CAS Common Chemistry |
| 114.173 g/mol | RDKit | |
| 114.02516919199999 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 29.2614 | RDKit |
