HKM
Summary
| Name: | 2-({2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-yl}oxy)benzonitrile |
| Formula: | C16 H12 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 308.358 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-({2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-yl}oxy)benzonitrile |
| OpenEye OEToolkits | 2.0.6 | 2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-yl]oxybenzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cc(c(C#N)cc1)Oc2cccnc2Nc3nc(C)cs3 |
| InChI | InChI | 1.03 | InChI=1S/C16H12N4OS/c1-11-10-22-16(19-11)20-15-14(7-4-8-18-15)21-13-6-3-2-5-12(13)9-17/h2-8,10H,1H3,(H,18,19,20) |
| InChIKey | InChI | 1.03 | KPJJEXKLZAXHEE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1csc(Nc2ncccc2Oc3ccccc3C#N)n1 |
| SMILES | CACTVS | 3.385 | Cc1csc(Nc2ncccc2Oc3ccccc3C#N)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1csc(n1)Nc2c(cccn2)Oc3ccccc3C#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1csc(n1)Nc2c(cccn2)Oc3ccccc3C#N |
