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2-Amino-N-(2-Chloro-6-Methylphenyl)-5-Thiazolecarboxamide
CAS: 302964-24-5 | C11H10ClN3OS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
302964-24-5
Molecular Formula:
C11H10ClN3OS
Molecular Mass:
267.74 g/mol
Names and Synonyms:
2-Amino-N-(2-Chloro-6-Methylphenyl)-5-Thiazolecarboxamide
5-Thiazolecarboxamide, 2-amino-N-(2-chloro-6-methylphenyl)-
2-Amino-N-(2-chloro-6-methylphenyl)-5-thiazolecarboxamide
2-Amino-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide
2-Amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide
Identifiers:
SMILES:
Cc1cccc(Cl)c1N=C(O)c1c[nH]c(=N)s1
InChI:
InChI=1S/C11H10ClN3OS/c1-6-3-2-4-7(12)9(6)15-10(16)8-5-14-11(13)17-8/h2-5H,1H3,(H2,13,14)(H,15,16)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 | 267.74 g/mol | CAS Common Chemistry |
| 267.74100000000004 g/mol | RDKit | |
| 267.02331062 g/mol | RDKit | |
| Canonical SMILES | O=C(NC=1C(Cl)=CC=CC1C)C=2SC(=NC2)N | CAS Common Chemistry |
| InChI | InChI=1S/C11H10ClN3OS/c1-6-3-2-4-7(12)9(6)15-10(16)8-5-14-11(13)17-8/h2-5H,1H3,(H2,13,14)(H,15,16) | CAS Common Chemistry |
| InChI Key | InChIKey=VVOXTERFTAJMAA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Amino-N-(2-chloro-6-methylphenyl)-5-thiazolecarboxamide | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 72.23 Ų | RDKit |
| LogP | 3.1537900000000008 | RDKit |
| Molar Refractivity | 69.53920000000001 | RDKit |
