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Molecule
2-Amino-4-(4-Methoxyphenyl)Thiazole
CAS: 2104-04-3 · C10H10N2OS
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2104-04-3
- Molecular Formula
- C10H10N2OS
- Molecular Mass
- 206.27 g/mol
Identifiers
CAS Registry Number
2104-04-3
SMILES
COc1ccc(-c2csc(=N)[nH]2)cc1
InChI Key
YPVVEXKDPBRGIK-UHFFFAOYSA-N
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)
Names and Synonyms
- 2-Amino-4-(4-Methoxyphenyl)Thiazole Synonym
- 2-Thiazolamine, 4-(4-methoxyphenyl)- Synonym
- Thiazole, 2-amino-4-(p-methoxyphenyl)- Synonym
- 4-(4-Methoxyphenyl)-2-thiazolamine Synonym
- 2-Amino-4-(p-methoxyphenyl)thiazole Synonym
- 2-Amino-4-(4-methoxyphenyl)thiazole Synonym
- 2-Amino-4-(p-anisyl)thiazole Synonym
- 4-(4-Methoxyphenyl)thiazol-2-ylamine Synonym
- 4-(4-Methoxyphenyl)-1,3-thiazol-2-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 206.27 g/mol | CAS Common Chemistry |
| 295.097 g/mol | chempirical lib | |
| 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 |
| 2.2313 | RDKit | |
| Molar Refractivity | 56.512400000000014 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1 | RDKit |
| Exact Mass | 206.05138394 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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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 = 206.27 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H10N2OS.
