AQE
Summary
| Name: | 2-[4-[(6~{S})-1,8-diazaspiro[5.5]undecan-8-yl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole |
| Formula: | C19 H23 N5 S |
| Formal charge: | 0 |
| Formula weight: | 353.484 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-[4-[(6~{S})-1,8-diazaspiro[5.5]undecan-8-yl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H23N5S/c1-2-7-23-19(5-1)6-3-10-24(13-19)15-4-8-20-17-16(15)14(12-22-17)18-21-9-11-25-18/h4,8-9,11-12,23H,1-3,5-7,10,13H2,(H,20,22)/t19-/m0/s1 |
| InChIKey | InChI | 1.03 | AZYKATVQZWSITP-IBGZPJMESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CC[C@@]2(CCCN(C2)c3ccnc4[nH]cc(c5sccn5)c34)NC1 |
| SMILES | CACTVS | 3.385 | C1CC[C]2(CCCN(C2)c3ccnc4[nH]cc(c5sccn5)c34)NC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cnc2c(c1N3CCC[C@]4(C3)CCCCN4)c(c[nH]2)c5nccs5 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cnc2c(c1N3CCCC4(C3)CCCCN4)c(c[nH]2)c5nccs5 |
