A1AY0
Summary
| Name: | 3-amino-5-tert-butylthiophene-2-carboxamide |
| Formula: | C9 H14 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 198.285 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-amino-5-tert-butylthiophene-2-carboxamide |
| OpenEye OEToolkits | 2.0.7 | 3-azanyl-5-~{tert}-butyl-thiophene-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Nc1cc(sc1C(=O)N)C(C)(C)C |
| InChI | InChI | 1.06 | InChI=1S/C9H14N2OS/c1-9(2,3)6-4-5(10)7(13-6)8(11)12/h4H,10H2,1-3H3,(H2,11,12) |
| InChIKey | InChI | 1.06 | MKHZJBZWKNDDCN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)c1sc(C(N)=O)c(N)c1 |
| SMILES | CACTVS | 3.385 | CC(C)(C)c1sc(C(N)=O)c(N)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1cc(c(s1)C(=O)N)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1cc(c(s1)C(=O)N)N |
