P6U
Summary
| Name: | (4S)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine |
| Formula: | C16 H18 F5 N3 S |
| Formal charge: | 0 |
| Formula weight: | 379.391 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4S)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine |
| OpenEye OEToolkits | 2.0.5 | (4~{S})-4-[2,4-bis(fluoranyl)-5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC1(CCSC(=N1)N)c2cc(c(cc2F)F)CNC3(CC3)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C16H18F5N3S/c1-14(4-5-25-13(22)24-14)10-6-9(11(17)7-12(10)18)8-23-15(2-3-15)16(19,20)21/h6-7,23H,2-5,8H2,1H3,(H2,22,24)/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | XKONRMXLBXCJAM-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@]1(CCSC(=N1)N)c2cc(CNC3(CC3)C(F)(F)F)c(F)cc2F |
| SMILES | CACTVS | 3.385 | C[C]1(CCSC(=N1)N)c2cc(CNC3(CC3)C(F)(F)F)c(F)cc2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | C[C@]1(CCSC(=N1)N)c2cc(c(cc2F)F)CNC3(CC3)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.5 | CC1(CCSC(=N1)N)c2cc(c(cc2F)F)CNC3(CC3)C(F)(F)F |
