X35
Summary
| Name: | [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone |
| Formula: | C12 H12 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 260.315 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone |
| OpenEye OEToolkits | 1.7.0 | [4-azanyl-2-(prop-2-enylamino)-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 | Nc1nc(NCC=C)sc1C(=O)c2cccnc2 |
| SMILES | CACTVS | 3.370 | Nc1nc(NCC=C)sc1C(=O)c2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C=CCNc1nc(c(s1)C(=O)c2cccnc2)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | C=CCNc1nc(c(s1)C(=O)c2cccnc2)N |
| InChI | InChI | 1.03 | InChI=1S/C12H12N4OS/c1-2-5-15-12-16-11(13)10(18-12)9(17)8-4-3-6-14-7-8/h2-4,6-7H,1,5,13H2,(H,15,16) |
| InChIKey | InChI | 1.03 | QNNXJIYSLIKTDV-UHFFFAOYSA-N |
