| CAS Number | 887575-96-4 |
| Catalog Number | AG019V3I(AGN-PC-0WO3I2) |
| Chemical Name | 2-[2-(2-methylpropanamido)-1,3-thiazol-4-yl]acetic acid |
| IUPAC Name | 2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetic acid |
| InChI | InChI=1S/C9H12N2O3S/c1-5(2)8(14)11-9-10-6(4-15-9)3-7(12)13/h4-5H,3H2,1-2H3,(H,12,13)(H,10,11,14) |
| InChI Key | QNOOLSWNJYOGJF-UHFFFAOYSA-N |
| MDL Number | MFCD09048343 |
| Molecular Formula | C9H12N2O3S |
| Molecular Weight | 228.2682 |
| SMILES | CC(C(NC1SC=C(CC(O)=O)N=1)=O)C |
| Synonyms | 2-[2-(2-methylpropanamido)-1,3-thiazol-4-yl]acetic acid,
887575-96-4,
AC1Q1NYW,
CTK6A3250,
ZINC11638415,
AKOS000132318,
MCULE-2049927037,
NE26158,
EN300-43624,
[2-(Isobutyrylamino)-1,3-thiazol-4-yl]acetic acid,
Z224295604,
4-Thiazoleacetic acid, 2-[(2-methyl-1-oxopropyl)amino],
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.266g/mol |
| Monoisotopic Mass | 228.057g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number