| CAS Number | 1163680-52-1 |
| Catalog Number | AG01A44S(AGN-PC-0WOBUE) |
| Chemical Name | 2-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide |
| IUPAC Name | 2-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide |
| InChI | InChI=1S/C9H15N3OS/c1-6(2)5-7(10)8(13)12-9-11-3-4-14-9/h3-4,6-7H,5,10H2,1-2H3,(H,11,12,13) |
| InChI Key | DVYUPIGMLMFLTJ-UHFFFAOYSA-N |
| MDL Number | MFCD09940534 |
| Molecular Formula | C9H15N3OS |
| Molecular Weight | 213.2999 |
| SMILES | CC(CC(C(NC1SC=CN=1)=O)N)C |
| Synonyms | 2-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide,
1163680-52-1,
AKOS000183138,
AKOS022482855,
MCULE-2710906687,
NE20369,
Z927750874,
2-Amino-4-methyl-pentanoic acid thiazol-2-ylamide,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.299g/mol |
| Monoisotopic Mass | 213.094g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 96.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number