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2-Amino-4-(4-Methoxyphenyl)Thiazole
CAS: 2104-04-3 | C10H10N2OS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2104-04-3
Molecular Formula:
C10H10N2OS
Molecular Mass:
206.27 g/mol
Names and Synonyms:
2-Amino-4-(4-Methoxyphenyl)Thiazole
2-Thiazolamine, 4-(4-methoxyphenyl)-
Thiazole, 2-amino-4-(p-methoxyphenyl)-
4-(4-Methoxyphenyl)-2-thiazolamine
2-Amino-4-(p-methoxyphenyl)thiazole
2-Amino-4-(4-methoxyphenyl)thiazole
2-Amino-4-(p-anisyl)thiazole
4-(4-Methoxyphenyl)thiazol-2-ylamine
4-(4-Methoxyphenyl)-1,3-thiazol-2-amine
Identifiers:
SMILES:
COc1ccc(-c2csc(=N)[nH]2)cc1
InChI:
InChI=1S/C10H10N2OS/c1-13-8-4-2-7(3-5-8)9-6-14-10(11)12-9/h2-6H,1H3,(H2,11,12)
Key Properties
Melting Point
204-205 °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 | 206.27 g/mol | CAS Common Chemistry |
| 206.05138394 g/mol | RDKit | |
| Canonical SMILES | N1=C(SC=C1C=2C=CC(OC)=CC2)N | CAS Common Chemistry |
| InChI | InChI=1S/C10H10N2OS/c1-13-8-4-2-7(3-5-8)9-6-14-10(11)12-9/h2-6H,1H3,(H2,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=YPVVEXKDPBRGIK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 204-205 °C | CAS Common Chemistry |
| Name | 2-Amino-4-(4-methoxyphenyl)thiazole | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 48.87 Ų | RDKit |
| LogP | 2.2312700000000003 | RDKit |
| Molar Refractivity | 56.512400000000014 | RDKit |
