4-(4-(5,5-Dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
PubChem CID: 72201086
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| Compound Synonyms | 1454920-20-7, 4-(4-(5,5-Dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine, MI-2-2, 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine, Thieno[2,3-d]pyrimidine, 4-[4-(4,5-dihydro-5,5-dimethyl-2-thiazolyl)-1-piperazinyl]-6-(2,2,2-trifluoroethyl)-, 4-[4-(4,5-Dihydro-5,5-dimethyl-2-thiazolyl)-1-piperazinyl]-6-(2,2,2-trifluoroethyl)-thieno[2,3-d]pyrimidine, 4-[4-(5,5-Dimethyl-4,5-Dihydro-1,3-Thiazol-2-Yl)piperazin-1-Yl]-6-(2,2,2-Trifluoroethyl)thieno[2,3-D]pyrimidine, CHEMBL3586090, SCHEMBL16031338, EX-A813, BCP19069, AKOS025396395, MI-2-2?, TS-08581, DB-194479, HY-108350, CS-0028432, F51026, Q27451354, 4-(4-(5,5-dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin |
|---|---|
| Topological Polar Surface Area | 98.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 577.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine |
| Prediction Hob | 1.0 |
| Target Id | NPT4999 |
| Xlogp | 3.9 |
| Molecular Formula | C17H20F3N5S2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SFDROHXKTATJBI-UHFFFAOYSA-N |
| Fcsp3 | 0.5882352941176471 |
| Logs | -5.337 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.523 |
| Compound Name | 4-(4-(5,5-Dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 415.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 415.111 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 415.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.881028666666667 |
| Inchi | InChI=1S/C17H20F3N5S2/c1-16(2)9-21-15(27-16)25-5-3-24(4-6-25)13-12-7-11(8-17(18,19)20)26-14(12)23-10-22-13/h7,10H,3-6,8-9H2,1-2H3 |
| Smiles | CC1(CN=C(S1)N2CCN(CC2)C3=C4C=C(SC4=NC=N3)CC(F)(F)F)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anacyclus Pyrethrum (Plant) Rel Props:Source_db:cmaup_ingredients