3-chloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-2-methyl-N-propan-2-ylbenzenesulfonamide;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-(4,4-difluoropiperidin-1-yl)methanone;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;bis([5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone)

C124H126ClF32N21O17S6 — CID 158958507

IUPAC3-chloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-2-methyl-N-propan-2-ylbenzenesulfonamide;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-(4,4-difluoropiperidin-1-yl)methanone;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;bis([5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone)
SMILESCC(C)(O)c1nnc(-c2nc(C(=O)N3CCC(F)(F)CC3)c(-c3ccc(C(C)(C(F)(F)F)C(F)(F)F)cc3C(F)F)s2)o1.C[C@H]1CCCN1C(=O)c1nc(-c2noc(C(C)(C)O)n2)sc1-c1ccc(C(C)(C(F)(F)F)C(F)(F)F)cc1C(F)F.Cc1c(S(=O)(=O)NC(C)C)ccc(-c2sc(-c3nnc(C(C)(C)O)o3)nc2C(=O)N2CCC(F)(F)CC2)c1Cl.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(-c2noc(C(C)(C)O)n2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(-c2noc(C(C)(C)O)n2)nc1C(=O)N1CCC[C@@H]1C
InChIInChI=1S/C25H22F10N4O3S.C25H24F8N4O3S.2C25H26F6N4O3S.C24H28ClF2N5O5S2/c1-21(2,41)20-38-37-17(42-20)18-36-14(19(40)39-8-6-23(28,29)7-9-39)15(43-18)12-5-4-11(10-13(12)16(26)27)22(3,24(30,31)32)25(33,34)35;1-11-6-5-9-37(11)20(38)15-16(41-19(34-15)18-35-21(40-36-18)22(2,3)39)13-8-7-12(10-14(13)17(26)27)23(4,24(28,29)30)25(31,32)33;2*1-12-11-14(23(5,24(26,27)28)25(29,30)31)8-9-15(12)17-16(20(36)35-10-6-7-13(35)2)32-19(39-17)18-33-21(38-34-18)22(3,4)37;1-12(2)31-39(35,36)15-7-6-14(16(25)13(15)3)18-17(21(33)32-10-8-24(26,27)9-11-32)28-20(38-18)19-29-30-22(37-19)23(4,5)34/h4-5,10,16,41H,6-9H2,1-3H3;7-8,10-11,17,39H,5-6,9H2,1-4H3;2*8-9,11,13,37H,6-7,10H2,1-5H3;6-7,12,31,34H,8-11H2,1-5H3/t;11-;2*13-;/m.000./s1
InChIKeyJMHXKEJMCLLAAC-ZDZRRLCQSA-N
MW3018.29 g/mol
LogP31.72
Rot. Bonds29

About 3-chloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-2-methyl-N-propan-2-ylbenzenesulfonamide;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-(4,4-difluoropiperidin-1-yl)methanone;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;bis([5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone)

3-chloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-2-methyl-N-propan-2-ylbenzenesulfonamide;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-(4,4-difluoropiperidin-1-yl)methanone;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;bis([5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone) (PubChem CID 158958507) has the molecular formula C124H126ClF32N21O17S6 and a molecular weight of 3018.29 g/mol. Its IUPAC name is 3-chloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-2-methyl-N-propan-2-ylbenzenesulfonamide;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-(4,4-difluoropiperidin-1-yl)methanone;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;bis([5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone).

Molecular Properties

Compound Name3-chloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-2-methyl-N-propan-2-ylbenzenesulfonamide;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-(4,4-difluoropiperidin-1-yl)methanone;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;bis([5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone)
PubChem CID158958507
Molecular FormulaC124H126ClF32N21O17S6
Molecular Weight3018.29 g/mol
Exact Mass3015.71
IUPAC Name3-chloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-2-methyl-N-propan-2-ylbenzenesulfonamide;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-(4,4-difluoropiperidin-1-yl)methanone;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;bis([5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone)
SMILESCC(C)(O)c1nnc(-c2nc(C(=O)N3CCC(F)(F)CC3)c(-c3ccc(C(C)(C(F)(F)F)C(F)(F)F)cc3C(F)F)s2)o1.C[C@H]1CCCN1C(=O)c1nc(-c2noc(C(C)(C)O)n2)sc1-c1ccc(C(C)(C(F)(F)F)C(F)(F)F)cc1C(F)F.Cc1c(S(=O)(=O)NC(C)C)ccc(-c2sc(-c3nnc(C(C)(C)O)o3)nc2C(=O)N2CCC(F)(F)CC2)c1Cl.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(-c2noc(C(C)(C)O)n2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(-c2noc(C(C)(C)O)n2)nc1C(=O)N1CCC[C@@H]1C
InChIInChI=1S/C25H22F10N4O3S.C25H24F8N4O3S.2C25H26F6N4O3S.C24H28ClF2N5O5S2/c1-21(2,41)20-38-37-17(42-20)18-36-14(19(40)39-8-6-23(28,29)7-9-39)15(43-18)12-5-4-11(10-13(12)16(26)27)22(3,24(30,31)32)25(33,34)35;1-11-6-5-9-37(11)20(38)15-16(41-19(34-15)18-35-21(40-36-18)22(2,3)39)13-8-7-12(10-14(13)17(26)27)23(4,24(28,29)30)25(31,32)33;2*1-12-11-14(23(5,24(26,27)28)25(29,30)31)8-9-15(12)17-16(20(36)35-10-6-7-13(35)2)32-19(39-17)18-33-21(38-34-18)22(3,4)37;1-12(2)31-39(35,36)15-7-6-14(16(25)13(15)3)18-17(21(33)32-10-8-24(26,27)9-11-32)28-20(38-18)19-29-30-22(37-19)23(4,5)34/h4-5,10,16,41H,6-9H2,1-3H3;7-8,10-11,17,39H,5-6,9H2,1-4H3;2*8-9,11,13,37H,6-7,10H2,1-5H3;6-7,12,31,34H,8-11H2,1-5H3/t;11-;2*13-;/m.000./s1
InChIKeyJMHXKEJMCLLAAC-ZDZRRLCQSA-N
XLogP31.72
TPSA507.92 Ų
H-Bond Donors6
H-Bond Acceptors37
Rotatable Bonds29
Heavy Atoms201
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003018.29
LogP ≤ 531.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1037

Analyze 3-chloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-2-methyl-N-propan-2-ylbenzenesulfonamide;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-(4,4-difluoropiperidin-1-yl)methanone;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;bis([5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-2-methyl-N-propan-2-ylbenzenesulfonamide;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-(4,4-difluoropiperidin-1-yl)methanone;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;bis([5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone)?
The IUPAC name of 3-chloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-2-methyl-N-propan-2-ylbenzenesulfonamide;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-(4,4-difluoropiperidin-1-yl)methanone;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;bis([5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone) (CID 158958507) is 3-chloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-2-methyl-N-propan-2-ylbenzenesulfonamide;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-(4,4-difluoropiperidin-1-yl)methanone;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;bis([5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone).
What is the SMILES notation for 3-chloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-2-methyl-N-propan-2-ylbenzenesulfonamide;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-(4,4-difluoropiperidin-1-yl)methanone;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;bis([5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone)?
The canonical SMILES for 3-chloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-2-methyl-N-propan-2-ylbenzenesulfonamide;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-(4,4-difluoropiperidin-1-yl)methanone;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;bis([5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone) is CC(C)(O)c1nnc(-c2nc(C(=O)N3CCC(F)(F)CC3)c(-c3ccc(C(C)(C(F)(F)F)C(F)(F)F)cc3C(F)F)s2)o1.C[C@H]1CCCN1C(=O)c1nc(-c2noc(C(C)(C)O)n2)sc1-c1ccc(C(C)(C(F)(F)F)C(F)(F)F)cc1C(F)F.Cc1c(S(=O)(=O)NC(C)C)ccc(-c2sc(-c3nnc(C(C)(C)O)o3)nc2C(=O)N2CCC(F)(F)CC2)c1Cl.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(-c2noc(C(C)(C)O)n2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(-c2noc(C(C)(C)O)n2)nc1C(=O)N1CCC[C@@H]1C.
What is the InChIKey of 3-chloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-2-methyl-N-propan-2-ylbenzenesulfonamide;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-(4,4-difluoropiperidin-1-yl)methanone;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;bis([5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone)?
The InChIKey is JMHXKEJMCLLAAC-ZDZRRLCQSA-N. The full InChI is InChI=1S/C25H22F10N4O3S.C25H24F8N4O3S.2C25H26F6N4O3S.C24H28ClF2N5O5S2/c1-21(2,41)20-38-37-17(42-20)18-36-14(19(40)39-8-6-23(28,29)7-9-39)15(43-18)12-5-4-11(10-13(12)16(26)27)22(3,24(30,31)32)25(33,34)35;1-11-6-5-9-37(11)20(38)15-16(41-19(34-15)18-35-21(40-36-18)22(2,3)39)13-8-7-12(10-14(13)17(26)27)23(4,24(28,29)30)25(31,32)33;2*1-12-11-14(23(5,24(26,27)28)25(29,30)31)8-9-15(12)17-16(20(36)35-10-6-7-13(35)2)32-19(39-17)18-33-21(38-34-18)22(3,4)37;1-12(2)31-39(35,36)15-7-6-14(16(25)13(15)3)18-17(21(33)32-10-8-24(26,27)9-11-32)28-20(38-18)19-29-30-22(37-19)23(4,5)34/h4-5,10,16,41H,6-9H2,1-3H3;7-8,10-11,17,39H,5-6,9H2,1-4H3;2*8-9,11,13,37H,6-7,10H2,1-5H3;6-7,12,31,34H,8-11H2,1-5H3/t;11-;2*13-;/m.000./s1.
What are the key properties of 3-chloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-2-methyl-N-propan-2-ylbenzenesulfonamide;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-(4,4-difluoropiperidin-1-yl)methanone;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;bis([5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone)?
3-chloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-2-methyl-N-propan-2-ylbenzenesulfonamide;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-(4,4-difluoropiperidin-1-yl)methanone;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;bis([5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone) has a molecular weight of 3018.29 g/mol, XLogP of 31.72, 29 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-2-methyl-N-propan-2-ylbenzenesulfonamide;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]-(4,4-difluoropiperidin-1-yl)methanone;[5-[2-(difluoromethyl)-4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;bis([5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone) is sourced from PubChem (CID 158958507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).