| CAS Number | 1251924-27-2 |
| Catalog Number | AG01A8IA |
| Chemical Name | N-(4-cyanophenyl)-1,3-thiazolidine-4-carboxamide hydrochloride |
| IUPAC Name | N-(4-cyanophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride |
| InChI | InChI=1S/C11H11N3OS.ClH/c12-5-8-1-3-9(4-2-8)14-11(15)10-6-16-7-13-10;/h1-4,10,13H,6-7H2,(H,14,15);1H |
| InChI Key | NJOXRCXGSCHHND-UHFFFAOYSA-N |
| MDL Number | MFCD16040067 |
| Molecular Formula | C11H12ClN3OS |
| Molecular Weight | 269.7505 |
| SMILES | Cl.O=C(C1NCSC1)NC1=CC=C(C#N)C=C1 |
| Synonyms | N-(4-cyanophenyl)-1,3-thiazolidine-4-carboxamide hydrochloride,
1251924-27-2,
EN300-61675,
AC1Q3E2K,
CHEMBL3498166,
MCULE-4886791447,
NE41099,
Z1262250754,
|
| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.747g/mol |
| Monoisotopic Mass | 269.039g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 90.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number