| CAS Number | 1803608-82-3 |
| Catalog Number | AG01AGFV |
| Chemical Name | tert-butyl 3-({[(4-methyl-1,3-thiazol-5-yl)methyl]amino}methyl)pyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C15H25N3O2S/c1-11-13(21-10-17-11)8-16-7-12-5-6-18(9-12)14(19)20-15(2,3)4/h10,12,16H,5-9H2,1-4H3 |
| InChI Key | LRXVXLVBHURDTH-UHFFFAOYSA-N |
| MDL Number | MFCD28118226 |
| Molecular Formula | C15H25N3O2S |
| Molecular Weight | 311.4429 |
| SMILES | CC1=C(CNCC2CN(C(OC(C)(C)C)=O)CC2)SC=N1 |
| Synonyms | tert-butyl 3-({[(4-methyl-1,3-thiazol-5-yl)methyl]amino}methyl)pyrrolidine-1-carboxylate,
1803608-82-3,
AKOS033508796,
Z1653887185,
|
| Complexity | 359 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.167g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.444g/mol |
| Monoisotopic Mass | 311.167g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 82.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number