Back to Search
2-Amino-5-[[4-[2-(5-Ethyl-2-Pyridinyl)Ethoxy]Phenyl]Methyl]-4(5H)-Thiazolone
CAS: 105355-26-8 | C19H21N3O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
105355-26-8
Molecular Formula:
C19H21N3O2S
Molecular Mass:
355.46 g/mol
Names and Synonyms:
2-Amino-5-[[4-[2-(5-Ethyl-2-Pyridinyl)Ethoxy]Phenyl]Methyl]-4(5H)-Thiazolone
4(5H)-Thiazolone, 2-amino-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-
2-Amino-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4(5H)-thiazolone
5-[4-[2-(5-Ethyl-2-pyridyl)ethoxy]benzyl]-2-imino-4-thiazolidinone
Pioglitazone 2-imine
2-Amino-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazol-4-one
Identifiers:
SMILES:
CCc1ccc(CCOc2ccc(CC3SC(=N)N=C3O)cc2)nc1
InChI:
InChI=1S/C19H21N3O2S/c1-2-13-3-6-15(21-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(23)22-19(20)25-17/h3-8,12,17H,2,9-11H2,1H3,(H2,20,22,23)
Key Properties
Melting Point
187-188 °C @ Solvent: Ethanol
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 | 355.46 g/mol | CAS Common Chemistry |
| 355.463 g/mol | RDKit | |
| 355.135447912 g/mol | RDKit | |
| Canonical SMILES | O=C1N=C(SC1CC2=CC=C(OCCC3=NC=C(C=C3)CC)C=C2)N | CAS Common Chemistry |
| InChI | InChI=1S/C19H21N3O2S/c1-2-13-3-6-15(21-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(23)22-19(20)25-17/h3-8,12,17H,2,9-11H2,1H3,(H2,20,22,23) | CAS Common Chemistry |
| InChI Key | InChIKey=ABGJULHDDNEULW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 187-188 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | 2-Amino-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4(5H)-thiazolone | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 78.56 Ų | RDKit |
| LogP | 3.8146700000000013 | RDKit |
| Molar Refractivity | 102.12950000000004 | RDKit |
