S0F
Summary
| Name: | 5-(4-bromobenzyl)-1,3-thiazol-2-amine |
| Formula: | C10 H9 Br N2 S |
| Formal charge: | 0 |
| Formula weight: | 269.161 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(4-bromobenzyl)-1,3-thiazol-2-amine |
| OpenEye OEToolkits | 1.7.6 | 5-[(4-bromophenyl)methyl]-1,3-thiazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1ccc(cc1)Cc2sc(nc2)N |
| InChI | InChI | 1.03 | InChI=1S/C10H9BrN2S/c11-8-3-1-7(2-4-8)5-9-6-13-10(12)14-9/h1-4,6H,5H2,(H2,12,13) |
| InChIKey | InChI | 1.03 | HGWLTZOMQZIUBW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1sc(Cc2ccc(Br)cc2)cn1 |
| SMILES | CACTVS | 3.385 | Nc1sc(Cc2ccc(Br)cc2)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1Cc2cnc(s2)N)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1Cc2cnc(s2)N)Br |
