| CAS Number | 1193387-25-5 |
| Catalog Number | AG019WA5 |
| Chemical Name | 1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazine |
| IUPAC Name | 6-(4-fluorophenyl)-2-piperazin-1-ylimidazo[2,1-b][1,3,4]thiadiazole |
| InChI | InChI=1S/C14H14FN5S/c15-11-3-1-10(2-4-11)12-9-20-13(17-12)21-14(18-20)19-7-5-16-6-8-19/h1-4,9,16H,5-8H2 |
| InChI Key | JPENIWLPUUKNCM-UHFFFAOYSA-N |
| MDL Number | MFCD12912935 |
| Molecular Formula | C14H14FN5S |
| Molecular Weight | 303.3579 |
| SMILES | FC1=CC=C(C2N=C3N(N=C(N4CCNCC4)S3)C=2)C=C1 |
| Synonyms | 1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazine,
1193387-25-5,
1-[5-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazine,
AC1Q4M1W,
CTK8F3082,
ZINC36379737,
AKOS023166102,
MCULE-6890517166,
NE25913,
EN300-51204,
Z744754548,
|
| Complexity | 359 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.359g/mol |
| Monoisotopic Mass | 303.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 73.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number