X02
Summary
| Name: | [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](phenyl)methanone |
| Formula: | C13 H13 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 259.327 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](phenyl)methanone |
| OpenEye OEToolkits | 1.7.0 | [4-azanyl-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-phenyl-methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1sc(nc1N)NC/C=C)c2ccccc2 |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1nc(NCC=C)sc1C(=O)c2ccccc2 |
| SMILES | CACTVS | 3.370 | Nc1nc(NCC=C)sc1C(=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C=CCNc1nc(c(s1)C(=O)c2ccccc2)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | C=CCNc1nc(c(s1)C(=O)c2ccccc2)N |
| InChI | InChI | 1.03 | InChI=1S/C13H13N3OS/c1-2-8-15-13-16-12(14)11(18-13)10(17)9-6-4-3-5-7-9/h2-7H,1,8,14H2,(H,15,16) |
| InChIKey | InChI | 1.03 | NJWGWVLFRYCKGD-UHFFFAOYSA-N |
