| CAS Number | 1340058-75-4 |
| Catalog Number | AG019TXK(AGN-PC-0WO61Q) |
| Chemical Name | 5-(Ethylamino)-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 5-(ethylamino)-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C6H8N2O2S/c1-2-7-5-4(6(9)10)8-3-11-5/h3,7H,2H2,1H3,(H,9,10) |
| InChI Key | UBTQZDUPIHEWEI-UHFFFAOYSA-N |
| MDL Number | MFCD20376253 |
| Molecular Formula | C6H8N2O2S |
| Molecular Weight | 172.2049 |
| SMILES | CCNC1=C(C(O)=O)N=CS1 |
| Synonyms | 5-(ethylamino)-1,3-thiazole-4-carboxylic acid,
1340058-75-4,
SCHEMBL2828292,
STL451643,
ZINC72266701,
AKOS013957820,
MCULE-2861622424,
NE22141,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.030649g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.21g/mol |
| Monoisotopic Mass | 172.030649g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 90.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number