| CAS Number | 871217-41-3 |
| Catalog Number | AG019OPF |
| Chemical Name | 4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]butanoic Acid |
| IUPAC Name | 4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]butanoic acid |
| InChI | InChI=1S/C10H14N2O3S/c1-6-9(7(2)13)16-10(12-6)11-5-3-4-8(14)15/h3-5H2,1-2H3,(H,11,12)(H,14,15) |
| InChI Key | QKPLFCRVSBFDLA-UHFFFAOYSA-N |
| MDL Number | MFCD07348559 |
| Molecular Formula | C10H14N2O3S |
| Molecular Weight | 242.2948 |
| SMILES | CC(C1=C(C)N=C(NCCCC(O)=O)S1)=O |
| Synonyms | 4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]butanoic Acid,
871217-41-3,
Z108566648,
4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]butanoic acid, AldrichCPR,
CID7131120,
AC1OFKQ0,
AC1Q1JD9,
SCHEMBL15333428,
CTK7J3823,
ZINC4218564,
AKOS009031159,
MCULE-6233246805,
EN300-14787,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.293g/mol |
| Monoisotopic Mass | 242.073g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number