| CAS Number | 1250118-20-7 |
| Catalog Number | AG01AB9X(AGN-PC-0WOB29) |
| Chemical Name | 1-[(2-Methyl-1,3-thiazol-5-yl)methyl]piperazine |
| IUPAC Name | 2-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole |
| InChI | InChI=1S/C9H15N3S/c1-8-11-6-9(13-8)7-12-4-2-10-3-5-12/h6,10H,2-5,7H2,1H3 |
| InChI Key | JBVOQOLBRWVANK-UHFFFAOYSA-N |
| MDL Number | MFCD14681605 |
| Molecular Formula | C9H15N3S |
| Molecular Weight | 197.3005 |
| SMILES | CC1SC(CN2CCNCC2)=CN=1 |
| Synonyms | 1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine,
1250118-20-7,
SCHEMBL9071079,
ZINC49533897,
AKOS010768012,
NE20253,
EN300-70908,
Z1171217421,
1-[(2-Methyl-1,3-thiazol-5-yl)methyl]piperazine, AldrichCPR,
1-[(2-methyl-5-thiazolyl)methyl]Piperazine,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.3g/mol |
| Monoisotopic Mass | 197.099g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 56.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number