A5G
Summary
| Name: | 1-[(4S)-5-(2,4-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine |
| Synonyms: | INE963 |
| Formula: | C16 H17 F2 N5 S |
| Formal charge: | 0 |
| Formula weight: | 349.401 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(4S)-5-(2,4-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine |
| OpenEye OEToolkits | 2.0.7 | 1-[5-[2,4-bis(fluoranyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methyl-piperidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1ccc(c2cnc3sc(nn23)N2CCC(C)(N)CC2)c(F)c1 |
| InChI | InChI | 1.03 | InChI=1S/C16H17F2N5S/c1-16(19)4-6-22(7-5-16)15-21-23-13(9-20-14(23)24-15)11-3-2-10(17)8-12(11)18/h2-3,8-9H,4-7,19H2,1H3 |
| InChIKey | InChI | 1.03 | ZGROGDMIGGHZAV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(N)CCN(CC1)c2sc3ncc(n3n2)c4ccc(F)cc4F |
| SMILES | CACTVS | 3.385 | CC1(N)CCN(CC1)c2sc3ncc(n3n2)c4ccc(F)cc4F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(CCN(CC1)c2nn3c(cnc3s2)c4ccc(cc4F)F)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CCN(CC1)c2nn3c(cnc3s2)c4ccc(cc4F)F)N |
