| CAS Number | 402848-76-4 |
| Catalog Number | AG00CKLW(AGN-PC-0KT4BX) |
| Chemical Name | 2-(Thiazol-2-ylcarbamoyl)phenyl acetate |
| IUPAC Name | [2-(1,3-thiazol-2-ylcarbamoyl)phenyl] acetate |
| InChI | InChI=1S/C12H10N2O3S/c1-8(15)17-10-5-3-2-4-9(10)11(16)14-12-13-6-7-18-12/h2-7H,1H3,(H,13,14,16) |
| InChI Key | GXWWYCHNNUHFAL-UHFFFAOYSA-N |
| MDL Number | MFCD01195401 |
| Molecular Formula | C12H10N2O3S |
| Molecular Weight | 262.2844 |
| SMILES | CC(OC1=CC=CC=C1C(NC2=NC=CS2)=O)=O |
| Synonyms | 2-(Thiazol-2-ylcarbamoyl)phenyl acetate,
402848-76-4,
AC1MO5EQ,
[2-(1,3-thiazol-2-ylcarbamoyl)phenyl] Acetate,
Oprea1_120678,
SCHEMBL714175,
GXWWYCHNNUHFAL-UHFFFAOYSA-N,
ZINC5379051,
RM4813,
[2-(thiazol-2-ylcarbamoyl)phenyl] acetate,
2-(1,3-thiazol-2-ylcarbamoyl)phenyl acetate,
Nitazoxanide Impurity 1,
CID3363745,
2-acetoxybenzoyl-N-(thiazol-2-yl)amide,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.283g/mol |
| Monoisotopic Mass | 262.041g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 96.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number