| CAS Number | 871909-80-7 |
| Catalog Number | AG019ORV |
| Chemical Name | N-cyclopropyl-2-[4-oxo-2-(phenylimino)-1,3-thiazolidin-5-yl]acetamide |
| IUPAC Name | N-cyclopropyl-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide |
| InChI | InChI=1S/C14H15N3O2S/c18-12(15-10-6-7-10)8-11-13(19)17-14(20-11)16-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,15,18)(H,16,17,19) |
| InChI Key | LNODMCWZZCWRKU-UHFFFAOYSA-N |
| MDL Number | MFCD28155409 |
| Molecular Formula | C14H15N3O2S |
| Molecular Weight | 289.3528 |
| SMILES | O=C(NC1CC1)CC1C(=O)NC(=NC2=CC=CC=C2)S1 |
| Synonyms | N-cyclopropyl-2-[4-oxo-2-(phenylimino)-1,3-thiazolidin-5-yl]acetamide,
871909-80-7,
N-cyclopropyl-2-[(2Z)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-yl]acetamide,
AC1Q5H3B,
CTK7G1397,
HMS1748I04,
AKOS001146850,
MCULE-3319112111,
NE23850,
EN300-15023,
Z118438284,
|
| Complexity | 428 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.353g/mol |
| Monoisotopic Mass | 289.088g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 95.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number