A1DN9
Summary
| Name: | 3,3-difluoro-N-(3-methyl-1,2-thiazol-5-yl)cyclobutane-1-carboxamide |
| Formula: | C9 H10 F2 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 232.25 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 3,3-difluoro-N-(3-methyl-1,2-thiazol-5-yl)cyclobutane-1-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | 3,3-bis(fluoranyl)-~{N}-(3-methyl-1,2-thiazol-5-yl)cyclobutane-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1cc(C)ns1)C1CC(F)(F)C1 |
| InChI | InChI | 1.06 | InChI=1S/C9H10F2N2OS/c1-5-2-7(15-13-5)12-8(14)6-3-9(10,11)4-6/h2,6H,3-4H2,1H3,(H,12,14) |
| InChIKey | InChI | 1.06 | XDSLMOJNYVPXFO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(NC(=O)C2CC(F)(F)C2)sn1 |
| SMILES | CACTVS | 3.385 | Cc1cc(NC(=O)C2CC(F)(F)C2)sn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cc(sn1)NC(=O)C2CC(C2)(F)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cc(sn1)NC(=O)C2CC(C2)(F)F |
