| CAS Number | 856418-80-9 |
| Catalog Number | AG01APKR(AGN-PC-0V1KV4) |
| Chemical Name | 1-Piperazinecarboxylic acid, 4-[(2-amino-4-thiazolyl)methyl]-,1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 4-[(2-amino-1,3-thiazol-4-yl)methyl]piperazine-1-carboxylate |
| InChI | InChI=1S/C13H22N4O2S/c1-13(2,3)19-12(18)17-6-4-16(5-7-17)8-10-9-20-11(14)15-10/h9H,4-8H2,1-3H3,(H2,14,15) |
| InChI Key | IIGGWVSIWMLZRW-UHFFFAOYSA-N |
| MDL Number | MFCD15147067 |
| Molecular Formula | C13H22N4O2S |
| Molecular Weight | 298.4044 |
| SMILES | O=C(OC(C)(C)C)N1CCN(CC2=CSC(N)=N2)CC1 |
| Synonyms | tert-butyl 4-[(2-amino-1,3-thiazol-4-yl)methyl]piperazine-1-carboxylate,
856418-80-9,
tert-butyl 4-((2-amino-1,3-thiazol-4-yl)methyl)piperazine-1-carboxylate,
AC1Q1N6O,
SCHEMBL465777,
IIGGWVSIWMLZRW-UHFFFAOYSA-N,
ZINC59722095,
AKOS024627621,
MCULE-2563890573,
VU0494748-1,
L-3877,
F2145-0843,
tert-butyl 4-((2-aminothiazol-4-yl)methyl)piperazine-1-carboxylate,
N/A,
|
| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.405g/mol |
| Monoisotopic Mass | 298.146g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 99.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number