1IR
Summary
| Name: | N-[cis-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine |
| Synonyms: | N-((1r,3r)-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl)benzo[d]thiazol-2-amine |
| Formula: | C18 H17 N5 O S |
| Formal charge: | 0 |
| Formula weight: | 351.425 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[cis-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine |
| OpenEye OEToolkits | 1.7.6 | N-[3-(2-methoxyimidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c5ccccc5sc1NC4CC(n2c3ncccc3nc2OC)C4 |
| InChI | InChI | 1.03 | InChI=1S/C18H17N5OS/c1-24-18-22-14-6-4-8-19-16(14)23(18)12-9-11(10-12)20-17-21-13-5-2-3-7-15(13)25-17/h2-8,11-12H,9-10H2,1H3,(H,20,21)/t11-,12+ |
| InChIKey | InChI | 1.03 | QSZCDYHTHAAFAW-TXEJJXNPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1nc2cccnc2n1[C@H]3C[C@H](C3)Nc4sc5ccccc5n4 |
| SMILES | CACTVS | 3.385 | COc1nc2cccnc2n1[CH]3C[CH](C3)Nc4sc5ccccc5n4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1nc2cccnc2n1C3CC(C3)Nc4nc5ccccc5s4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | COc1nc2cccnc2n1C3CC(C3)Nc4nc5ccccc5s4 |
