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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 Weight:
114.173 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)
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 114.173 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 114.02516919199999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 39.64 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.8640899999999998 | RDKit |
| molecular_mass | 114.17 g/mol | Legacy Database |
| cas-canonical-smile | N=1C=C(SC1N)C None | Legacy Database |
| cas-inchi | InChI=1S/C4H6N2S/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6) None | Legacy Database |
| cas-inchi-key | InChIKey=GUABFMPMKJGSBQ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 95-96.5 °C None | Legacy Database |
| cas-name | 2-Amino-5-methylthiazole None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 29.2614 | RDKit |
