KMX
Summary
| Name: | 1-{4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl}ethan-1-one |
| Formula: | C17 H21 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 315.433 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-{4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl}ethan-1-one |
| OpenEye OEToolkits | 2.0.7 | 1-[4-[[2-(phenylmethyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(=O)N1CCN(CC1)Cc1cnc(Cc2ccccc2)s1 |
| InChI | InChI | 1.06 | InChI=1S/C17H21N3OS/c1-14(21)20-9-7-19(8-10-20)13-16-12-18-17(22-16)11-15-5-3-2-4-6-15/h2-6,12H,7-11,13H2,1H3 |
| InChIKey | InChI | 1.06 | CZSFWPWYLTWYHF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCN(CC1)Cc2sc(Cc3ccccc3)nc2 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCN(CC1)Cc2sc(Cc3ccccc3)nc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCN(CC1)Cc2cnc(s2)Cc3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCN(CC1)Cc2cnc(s2)Cc3ccccc3 |
