| CAS Number | 1052539-68-0 |
| Catalog Number | AG00HALS(AGN-PC-0WR4JR) |
| Chemical Name | 4-(Piperazin-1-ylmethyl)-2-(thiophen-3-yl)thiazole hydrochloride |
| IUPAC Name | 4-(piperazin-1-ylmethyl)-2-thiophen-3-yl-1,3-thiazole;hydrochloride |
| InChI | InChI=1S/C12H15N3S2.ClH/c1-6-16-8-10(1)12-14-11(9-17-12)7-15-4-2-13-3-5-15;/h1,6,8-9,13H,2-5,7H2;1H |
| InChI Key | NBFYZAASDNYXLF-UHFFFAOYSA-N |
| MDL Number | MFCD08692018 |
| Molecular Formula | C12H16ClN3S2 |
| Molecular Weight | 301.8585 |
| SMILES | Cl.C(C1N=C(C2=CSC=C2)SC=1)N1CCNCC1 |
| Synonyms | 1052539-68-0,
1-[(2-thien-3-yl-1,3-thiazol-4-yl)methyl]piperazine hydrochloride,
1-{[2-(thiophen-3-yl)-1,3-thiazol-4-yl]methyl}piperazine hydrochloride,
AC1Q38Q2,
CTK7D1743,
MFCD08692018,
AKOS026775344,
MCULE-7419397461,
NE52107,
EN300-26010,
1-[(2-Thien-3-yl-1,3-thiazol-4-yl)methyl]piperazine, HCl,
4-(Piperazin-1-ylmethyl)-2-(thiophen-3-yl)thiazole hydrochloride,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.851g/mol |
| Monoisotopic Mass | 301.047g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 84.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number