| CAS Number | 95454-17-4 |
| Catalog Number | AG01A0O4(AGN-PC-013MC3) |
| Chemical Name | 3-([5-(2-Methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl)propanoic acid |
| IUPAC Name | 4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoic acid |
| InChI | InChI=1S/C10H15N3O3S/c1-6(2)5-8-12-13-10(17-8)11-7(14)3-4-9(15)16/h6H,3-5H2,1-2H3,(H,15,16)(H,11,13,14) |
| InChI Key | KAJRYTMYEDXNHU-UHFFFAOYSA-N |
| MDL Number | MFCD07364250 |
| Molecular Formula | C10H15N3O3S |
| Molecular Weight | 257.3094 |
| SMILES | CC(CC1SC(NC(CCC(O)=O)=O)=NN=1)C |
| Synonyms | 3-{[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl}propanoic acid,
95454-17-4,
SBB040542,
ZINC16902379,
AKOS000268830,
MCULE-2773144934,
NE26808,
N-(5-Isobutyl-[1,3,4]thiadiazol-2-yl)-succinamic acid,
Z1431321771,
3-{N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl}propanoic acid,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.308g/mol |
| Monoisotopic Mass | 257.083g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number