| CAS Number | 869464-91-5 |
| Catalog Number | AG019ONB |
| Chemical Name | 1-[4-(2-Amino-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one |
| IUPAC Name | 1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one |
| InChI | InChI=1S/C13H13N3OS/c14-13-15-11(8-18-13)9-3-5-10(6-4-9)16-7-1-2-12(16)17/h3-6,8H,1-2,7H2,(H2,14,15) |
| InChI Key | OFSONEPCPBZQRA-UHFFFAOYSA-N |
| MDL Number | MFCD07345587 |
| Molecular Formula | C13H13N3OS |
| Molecular Weight | 259.3268 |
| SMILES | NC1SC=C(C2=CC=C(N3C(=O)CCC3)C=C2)N=1 |
| Synonyms | 1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one,
869464-91-5,
AC1OEVVM,
AC1Q52LL,
CTK7H4085,
ZINC3888891,
AKOS009028783,
MCULE-3779055711,
NE34792,
EN300-14600,
AB00741919-01,
Z104377988,
ZINC03888891,
CID7064013,
|
| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.327g/mol |
| Monoisotopic Mass | 259.078g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 87.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number