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1-(2-Thiazolyl)Piperazine
CAS: 42270-37-1 | C7H11N3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
42270-37-1
Molecular Formula:
C7H11N3S
Molecular Mass:
169.25 g/mol
Names and Synonyms:
1-(2-Thiazolyl)Piperazine
Piperazine, 1-(2-thiazolyl)-
1-(2-Thiazolyl)piperazine
4-(1,3-Thiazol-2-yl)piperazine
2-(Piperazin-1-yl)thiazole
2-Piperazin-1-yl-1,3-thiazole
Identifiers:
SMILES:
c1csc(N2CCNCC2)n1
InChI:
InChI=1S/C7H11N3S/c1-4-10(5-2-8-1)7-9-3-6-11-7/h3,6,8H,1-2,4-5H2
Key Properties
Boiling Point
120-125 °C @ Press: 2 Torr
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 | 169.25 g/mol | CAS Common Chemistry |
| 169.253 g/mol | RDKit | |
| 169.067368352 g/mol | RDKit | |
| Boiling Point | 120-125 °C @ Press: 2 Torr | CAS Common Chemistry |
| Canonical SMILES | N=1C=CSC1N2CCNCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C7H11N3S/c1-4-10(5-2-8-1)7-9-3-6-11-7/h3,6,8H,1-2,4-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WQFWIVTXNKRNJZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(2-Thiazolyl)piperazine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 28.16 Ų | RDKit |
| LogP | 0.5526999999999997 | RDKit |
| Molar Refractivity | 47.196700000000014 | RDKit |
