| CAS Number | 460730-11-4 |
| Catalog Number | AG019NWZ(AGN-PC-0KGW7A) |
| Chemical Name | 4-chloro-2-[(4-methoxyphenyl)amino]-1,3-thiazole-5-carbaldehyde |
| IUPAC Name | 4-chloro-2-(4-methoxyanilino)-1,3-thiazole-5-carbaldehyde |
| InChI | InChI=1S/C11H9ClN2O2S/c1-16-8-4-2-7(3-5-8)13-11-14-10(12)9(6-15)17-11/h2-6H,1H3,(H,13,14) |
| InChI Key | NINIDNJOARBXJV-UHFFFAOYSA-N |
| MDL Number | MFCD06382012 |
| Molecular Formula | C11H9ClN2O2S |
| Molecular Weight | 268.7194 |
| SMILES | COC1=CC=C(NC2SC(C=O)=C(Cl)N=2)C=C1 |
| Synonyms | 4-chloro-2-[(4-methoxyphenyl)amino]-1,3-thiazole-5-carbaldehyde,
460730-11-4,
AC1M7OIM,
AC1Q4DE9,
MLS000772485,
CHEMBL1576349,
SCHEMBL15331990,
CTK7A4845,
ZINC3354124,
AKOS030699726,
MCULE-6842261040,
NE34083,
SMR000377147,
EN300-12047,
SR-01000063710,
SR-01000063710-1,
4-chloro-2-(4-methoxyanilino)-1,3-thiazole-5-carbaldehyde,
ZINC03354124,
CID2471296,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.715g/mol |
| Monoisotopic Mass | 268.007g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 79.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number