| CAS Number | 1255783-47-1 |
| Catalog Number | AG01BEC7 |
| Chemical Name | 2-(4-ethylpiperazin-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one |
| IUPAC Name | 2-(4-ethylpiperazin-1-yl)-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one |
| InChI | InChI=1S/C11H15N5OS/c1-2-15-3-5-16(6-4-15)11-14-9-8(18-11)10(17)13-7-12-9/h7H,2-6H2,1H3,(H,12,13,17) |
| InChI Key | NCCLQSFOKNAVQK-UHFFFAOYSA-N |
| MDL Number | MFCD17780282 |
| Molecular Formula | C11H15N5OS |
| Molecular Weight | 265.3347 |
| SMILES | CCN1CCN(C2SC3=C(N=CNC3=O)N=2)CC1 |
| Synonyms | 2-(4-ethylpiperazin-1-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one,
1255783-47-1,
2-(4-ethylpiperazin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one,
BBL001259,
MFCD17780282,
STL085973,
ZINC57352256,
AKOS005714252,
MCULE-5611109810,
NE48846,
Z1889710324,
|
| Complexity | 355 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.335g/mol |
| Monoisotopic Mass | 265.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 89.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number