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Molecule
5-Methyl-4-Phenyl-2-Thiazolamine
CAS: 30709-67-2 · C10H10N2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 30709-67-2
- Molecular Formula
- C10H10N2S
- Molecular Mass
- 190.27 g/mol
Identifiers
CAS Registry Number
30709-67-2
SMILES
Cc1sc(=N)[nH]c1-c1ccccc1
InChI Key
HTXQOROHFFYFMC-UHFFFAOYSA-N
InChI
InChI=1S/C10H10N2S/c1-7-9(12-10(11)13-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12)
Names and Synonyms
- 5-Methyl-4-Phenyl-2-Thiazolamine Synonym
- 2-Thiazolamine, 5-methyl-4-phenyl- Synonym
- Thiazole, 2-amino-5-methyl-4-phenyl- Synonym
- 5-Methyl-4-phenyl-2-thiazolamine Synonym
- 2-Amino-5-methyl-4-phenylthiazole Synonym
- 5-Methyl-4-phenyl-1,3-thiazol-2-amine Synonym
- NSC 54435 Synonym
- (5-Methyl-4-phenylthiazol-2-yl)amine Synonym
- 2-Amino-4-phenyl-5-methylthiazole Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 190.27 g/mol | CAS Common Chemistry |
| 190.27100000000002 g/mol | RDKit | |
| 190.271 g/mol | RDKit | |
| 192.157 g/mol | chempirical lib | |
| Canonical SMILES | N1=C(SC(=C1C=2C=CC=CC2)C)N | CAS Common Chemistry |
| InChI | InChI=1S/C10H10N2S/c1-7-9(12-10(11)13-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=HTXQOROHFFYFMC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 116-118 °C | CAS Common Chemistry |
| Name | 5-Methyl-4-phenyl-2-thiazolamine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 39.64 Ų | RDKit |
| LogP | 2.5310900000000007 | RDKit |
| 2.5311 | RDKit | |
| Molar Refractivity | 54.69740000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1 | RDKit |
| Exact Mass | 190.05646932 g/mol | RDKit |
| Boiling Point | 163-164 °C @ 0.6 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 190.27 g/mol. Edit any field — others recompute live.
