A1H6R
Summary
| Name: | (~{S})-[(7~{a}~{R})-2-cyclopentyl-5,6,7,7~{a}-tetrahydroimidazo[5,1-b][1,3]thiazol-3-yl]-cyclohexyl-methanol |
| Formula: | C17 H28 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 308.482 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{S})-[(7~{a}~{R})-2-cyclopentyl-5,6,7,7~{a}-tetrahydroimidazo[5,1-b][1,3]thiazol-3-yl]-cyclohexyl-methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H28N2OS/c20-16(12-6-2-1-3-7-12)15-17(13-8-4-5-9-13)21-14-10-18-11-19(14)15/h12-14,16,18,20H,1-11H2/t14-,16+/m1/s1 |
| InChIKey | InChI | 1.06 | HFSRQYZGWAJUJK-ZBFHGGJFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H](C1CCCCC1)C2=C(S[C@@H]3CNCN23)C4CCCC4 |
| SMILES | CACTVS | 3.385 | O[CH](C1CCCCC1)C2=C(S[CH]3CNCN23)C4CCCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CCC(CC1)[C@@H](C2=C(S[C@H]3N2CNC3)C4CCCC4)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CCC(CC1)C(C2=C(SC3N2CNC3)C4CCCC4)O |
