| CAS Number | 1181458-45-6 |
| Catalog Number | AG019VDA |
| Chemical Name | 5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine hydrochloride |
| IUPAC Name | 5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride |
| InChI | InChI=1S/C10H9FN2S.ClH/c11-8-3-1-7(2-4-8)5-9-6-13-10(12)14-9;/h1-4,6H,5H2,(H2,12,13);1H |
| InChI Key | MXWNKBTVBCVWBW-UHFFFAOYSA-N |
| MDL Number | MFCD12197127 |
| Molecular Formula | C10H10ClFN2S |
| Molecular Weight | 244.7162 |
| SMILES | Cl.NC1SC(CC2=CC=C(F)C=C2)=CN=1 |
| Synonyms | 5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine hydrochloride,
1181458-45-6,
AC1Q3D0K,
CTK7C0360,
AKOS026742891,
NE40879,
EN300-44937,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.712g/mol |
| Monoisotopic Mass | 244.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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