4-Methyl-4'-(3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl)-1,2,3-thiadiazole-5-carboxanilide
PubChem CID: 2455
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 223499-30-7, btp2, YM-58483, CRAC Channel Inhibitor, BTP2, N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide, N-(4-(3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide, N-[4-[3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl]phenyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide, CHEMBL262766, YM 58483, 4-methyl-4'-(3,5-bis(trifluoromethyl)-1h-pyrazol-1-yl)-1,2,3-thiadiazole-5-carboxanilide, 4-methyl-4'-[3,5-bis(trifluoromethyl)-1h-pyrazol-1-yl]-1,2,3-thiadiazole-5-carboxanilide, n-{4-[3,5-bis(trifluoromethyl)-1h-pyrazol-1-yl]phenyl}-4-methyl-1,2,3-thiadiazole-5-carboxamide, BTP2 cpd, BTP-2, MFCD00220976, YM-58483 (BTP2), Maybridge3_006679, SCHEMBL676045, GTPL2438, DTXSID50274370, XPRZIORDEVHURQ-UHFFFAOYSA-N, HMS1449P13, HMS3648I22, HMS3886H10, YM-58483 (BTP2 pound(c), BCP19298, EX-A2467, BDBM50204544, CCG-55182, s8380, AKOS024457886, CS-6047, YM58483, IDI1_018066, NCGC00344111-03, AC-35791, AS-16763, DB-221563, HY-100831, YM-58483?, C74150, YM-58483, >=98% (HPLC), SR-01000644222, SR-01000644222-1, SR-01000644222-3, BRD-K42563464-001-01-9, Q27075544, CRAC Channel Inhibitor, BTP2 - CAS 223499-30-7, 4-Methyl-[1,2,3]thiadiazole-5-carboxylic acid [4-(3,5-bis-trifluoromethyl-pyrazol-1-yl)-phenyl]-amide, 636-569-2, n-{4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl}-4-methyl-1,2,3-thiadiazole-5-carboxamide |
|---|---|
| Topological Polar Surface Area | 101.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 568.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C15H9F6N5OS |
| Prediction Swissadme | 0.0 |
| Inchi Key | XPRZIORDEVHURQ-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -5.461 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.651 |
| Compound Name | 4-Methyl-4'-(3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl)-1,2,3-thiadiazole-5-carboxanilide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 421.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 421.043 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 421.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.885678342857142 |
| Inchi | InChI=1S/C15H9F6N5OS/c1-7-12(28-25-23-7)13(27)22-8-2-4-9(5-3-8)26-11(15(19,20)21)6-10(24-26)14(16,17)18/h2-6H,1H3,(H,22,27) |
| Smiles | CC1=C(SN=N1)C(=O)NC2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C(F)(F)F |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cyperus Rotundus (Plant) Rel Props:Source_db:cmaup_ingredients