| CAS Number | 1105191-83-0 |
| Catalog Number | AG01ARS9(AGN-PC-0WCO4O) |
| Chemical Name | 2-(([(4-Fluorophenyl)amino]carbonyl)amino)-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C11H8FN3O3S/c12-6-1-3-7(4-2-6)13-10(18)15-11-14-8(5-19-11)9(16)17/h1-5H,(H,16,17)(H2,13,14,15,18) |
| InChI Key | ZQZWYMGFPMPJKF-UHFFFAOYSA-N |
| MDL Number | MFCD11986871 |
| Molecular Formula | C11H8FN3O3S |
| Molecular Weight | 281.2629 |
| SMILES | OC(C1N=C(NC(NC2=CC=C(F)C=C2)=O)SC=1)=O |
| Synonyms | 2-({[(4-fluorophenyl)amino]carbonyl}amino)-1,3-thiazole-4-carboxylic acid,
1105191-83-0,
ZINC26423388,
AKOS005206587,
MCULE-7668478410,
L-5109,
F2158-0119,
2-{[(4-fluorophenyl)carbamoyl]amino}-1,3-thiazole-4-carboxylic acid,
N/A,
|
| Complexity | 350 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.261g/mol |
| Monoisotopic Mass | 281.027g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number