3WP
Summary
| Name: | (4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine |
| Formula: | C11 H12 F2 N2 S |
| Formal charge: | 0 |
| Formula weight: | 242.288 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine |
| OpenEye OEToolkits | 1.9.2 | (4S)-4-[2,4-bis(fluoranyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1ccc(c(F)c1)C2(N=C(SCC2)N)C |
| InChI | InChI | 1.03 | InChI=1S/C11H12F2N2S/c1-11(4-5-16-10(14)15-11)8-3-2-7(12)6-9(8)13/h2-3,6H,4-5H2,1H3,(H2,14,15)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | JRYNZJXSUKTLGF-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@]1(CCSC(=N1)N)c2ccc(F)cc2F |
| SMILES | CACTVS | 3.385 | C[C]1(CCSC(=N1)N)c2ccc(F)cc2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@]1(CCSC(=N1)N)c2ccc(cc2F)F |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC1(CCSC(=N1)N)c2ccc(cc2F)F |
