09Z
Summary
| Name: | [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone |
| Formula: | C12 H14 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 262.331 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone |
| OpenEye OEToolkits | 1.7.0 | [4-azanyl-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-pyridin-3-yl-methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1sc(nc1N)NC(C)C)c2cccnc2 |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)Nc1sc(c(N)n1)C(=O)c2cccnc2 |
| SMILES | CACTVS | 3.370 | CC(C)Nc1sc(c(N)n1)C(=O)c2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)Nc1nc(c(s1)C(=O)c2cccnc2)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)Nc1nc(c(s1)C(=O)c2cccnc2)N |
| InChI | InChI | 1.03 | InChI=1S/C12H14N4OS/c1-7(2)15-12-16-11(13)10(18-12)9(17)8-4-3-5-14-6-8/h3-7H,13H2,1-2H3,(H,15,16) |
| InChIKey | InChI | 1.03 | PDIHMNDWUQWWNQ-UHFFFAOYSA-N |
