5-[[(4S)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4S)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(fluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole

C144H144F18N18O18S12 — CID 159033890

IUPAC5-[[(4S)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4S)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(fluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole
SMILESO=S(=O)(Cc1nccs1)c1cc2c(cc1F)[C@@H](N1CC[C@@H](C(F)(F)F)C[C@H]1c1ccccn1)CCO2.O=S(=O)(Cc1ncns1)c1ccc2c(c1)OCC[C@@H]2N1CC[C@@H](C(F)F)C[C@H]1c1ccc(F)cc1.O=S(=O)(Cc1ncns1)c1ccc2c(c1)OCC[C@@H]2N1CC[C@H](C(F)F)C[C@@H]1c1ccc(F)cc1.O=S(=O)(Cc1ncns1)c1ccc2c(c1)OCC[C@H]2N1CC[C@@H](C(F)F)C[C@H]1c1ccc(F)cc1.O=S(=O)(Cc1ncns1)c1ccc2c(c1)OCC[C@H]2N1CC[C@H](C(F)F)C[C@@H]1c1ccc(F)cc1.O=S(=O)(Cc1ncns1)c1ccc2c(c1)OCC[C@H]2N1CC[C@H](CF)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C24H23F4N3O3S2.4C24H24F3N3O3S2.C24H25F2N3O3S2/c25-17-12-16-19(5-9-34-21(16)13-22(17)36(32,33)14-23-30-7-10-35-23)31-8-4-15(24(26,27)28)11-20(31)18-3-1-2-6-29-18;4*25-17-3-1-15(2-4-17)21-11-16(24(26)27)7-9-30(21)20-8-10-33-22-12-18(5-6-19(20)22)35(31,32)13-23-28-14-29-34-23;25-13-16-7-9-29(22(11-16)17-1-3-18(26)4-2-17)21-8-10-32-23-12-19(5-6-20(21)23)34(30,31)14-24-27-15-28-33-24/h1-3,6-7,10,12-13,15,19-20H,4-5,8-9,11,14H2;4*1-6,12,14,16,20-21,24H,7-11,13H2;1-6,12,15-16,21-22H,7-11,13-14H2/t15-,19+,20+;2*16-,20+,21+;2*16-,20-,21+;16-,21+,22+/m110100/s1
InChIKeyJVFHXERTBGAYDR-FVWXULKJSA-N
MW3141.61 g/mol
LogP31.16
Rot. Bonds35

About 5-[[(4S)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4S)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(fluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole

5-[[(4S)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4S)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(fluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole (PubChem CID 159033890) has the molecular formula C144H144F18N18O18S12 and a molecular weight of 3141.61 g/mol. Its IUPAC name is 5-[[(4S)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4S)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(fluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[(4S)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4S)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(fluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole
PubChem CID159033890
Molecular FormulaC144H144F18N18O18S12
Molecular Weight3141.61 g/mol
Exact Mass3138.73
IUPAC Name5-[[(4S)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4S)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(fluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole
SMILESO=S(=O)(Cc1nccs1)c1cc2c(cc1F)[C@@H](N1CC[C@@H](C(F)(F)F)C[C@H]1c1ccccn1)CCO2.O=S(=O)(Cc1ncns1)c1ccc2c(c1)OCC[C@@H]2N1CC[C@@H](C(F)F)C[C@H]1c1ccc(F)cc1.O=S(=O)(Cc1ncns1)c1ccc2c(c1)OCC[C@@H]2N1CC[C@H](C(F)F)C[C@@H]1c1ccc(F)cc1.O=S(=O)(Cc1ncns1)c1ccc2c(c1)OCC[C@H]2N1CC[C@@H](C(F)F)C[C@H]1c1ccc(F)cc1.O=S(=O)(Cc1ncns1)c1ccc2c(c1)OCC[C@H]2N1CC[C@H](C(F)F)C[C@@H]1c1ccc(F)cc1.O=S(=O)(Cc1ncns1)c1ccc2c(c1)OCC[C@H]2N1CC[C@H](CF)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C24H23F4N3O3S2.4C24H24F3N3O3S2.C24H25F2N3O3S2/c25-17-12-16-19(5-9-34-21(16)13-22(17)36(32,33)14-23-30-7-10-35-23)31-8-4-15(24(26,27)28)11-20(31)18-3-1-2-6-29-18;4*25-17-3-1-15(2-4-17)21-11-16(24(26)27)7-9-30(21)20-8-10-33-22-12-18(5-6-19(20)22)35(31,32)13-23-28-14-29-34-23;25-13-16-7-9-29(22(11-16)17-1-3-18(26)4-2-17)21-8-10-32-23-12-19(5-6-20(21)23)34(30,31)14-24-27-15-28-33-24/h1-3,6-7,10,12-13,15,19-20H,4-5,8-9,11,14H2;4*1-6,12,14,16,20-21,24H,7-11,13H2;1-6,12,15-16,21-22H,7-11,13-14H2/t15-,19+,20+;2*16-,20+,21+;2*16-,20-,21+;16-,21+,22+/m110100/s1
InChIKeyJVFHXERTBGAYDR-FVWXULKJSA-N
XLogP31.16
TPSA434.34 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds35
Heavy Atoms210
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003141.61
LogP ≤ 531.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze 5-[[(4S)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4S)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(fluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[(4S)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4S)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(fluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole?
The IUPAC name of 5-[[(4S)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4S)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(fluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole (CID 159033890) is 5-[[(4S)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4S)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(fluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole.
What is the SMILES notation for 5-[[(4S)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4S)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(fluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole?
The canonical SMILES for 5-[[(4S)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4S)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(fluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole is O=S(=O)(Cc1nccs1)c1cc2c(cc1F)[C@@H](N1CC[C@@H](C(F)(F)F)C[C@H]1c1ccccn1)CCO2.O=S(=O)(Cc1ncns1)c1ccc2c(c1)OCC[C@@H]2N1CC[C@@H](C(F)F)C[C@H]1c1ccc(F)cc1.O=S(=O)(Cc1ncns1)c1ccc2c(c1)OCC[C@@H]2N1CC[C@H](C(F)F)C[C@@H]1c1ccc(F)cc1.O=S(=O)(Cc1ncns1)c1ccc2c(c1)OCC[C@H]2N1CC[C@@H](C(F)F)C[C@H]1c1ccc(F)cc1.O=S(=O)(Cc1ncns1)c1ccc2c(c1)OCC[C@H]2N1CC[C@H](C(F)F)C[C@@H]1c1ccc(F)cc1.O=S(=O)(Cc1ncns1)c1ccc2c(c1)OCC[C@H]2N1CC[C@H](CF)C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of 5-[[(4S)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4S)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(fluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole?
The InChIKey is JVFHXERTBGAYDR-FVWXULKJSA-N. The full InChI is InChI=1S/C24H23F4N3O3S2.4C24H24F3N3O3S2.C24H25F2N3O3S2/c25-17-12-16-19(5-9-34-21(16)13-22(17)36(32,33)14-23-30-7-10-35-23)31-8-4-15(24(26,27)28)11-20(31)18-3-1-2-6-29-18;4*25-17-3-1-15(2-4-17)21-11-16(24(26)27)7-9-30(21)20-8-10-33-22-12-18(5-6-19(20)22)35(31,32)13-23-28-14-29-34-23;25-13-16-7-9-29(22(11-16)17-1-3-18(26)4-2-17)21-8-10-32-23-12-19(5-6-20(21)23)34(30,31)14-24-27-15-28-33-24/h1-3,6-7,10,12-13,15,19-20H,4-5,8-9,11,14H2;4*1-6,12,14,16,20-21,24H,7-11,13H2;1-6,12,15-16,21-22H,7-11,13-14H2/t15-,19+,20+;2*16-,20+,21+;2*16-,20-,21+;16-,21+,22+/m110100/s1.
What are the key properties of 5-[[(4S)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4S)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(fluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole?
5-[[(4S)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4S)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(fluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole has a molecular weight of 3141.61 g/mol, XLogP of 31.16, 35 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4S)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4S)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(fluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole is sourced from PubChem (CID 159033890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).