(2R)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol;(2S)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol;diethyl 2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentanedioate;5-piperidin-4-yl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazole;4-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-ol;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]butan-1-ol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-5-yl]piperidin-1-yl]butan-1-ol

C204H298N22O14S4 — CID 160796996

IUPAC(2R)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol;(2S)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol;diethyl 2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentanedioate;5-piperidin-4-yl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazole;4-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-ol;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]butan-1-ol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-5-yl]piperidin-1-yl]butan-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(C4CCN(C[C@@H](N)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(C4CCN(C[C@H](N)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3ncc(C4CCN(CCCCO)CC4)o3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3ncc(C4CCN(CCCCO)CC4)s3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3noc(C4CCN(CCCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3noc(C4CCN(CCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3noc(C4CCNCC4)n3)ccc21.CCOC(=O)CCC(C(=O)OCC)N1CCN(c2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cs2)CC1
InChIInChI=1S/C30H43N3O4S.C26H39N3O2.C26H38N2O2.C26H38N2OS.C25H37N3O2.2C25H37N3OS.C21H29N3O/c1-7-36-26(34)12-11-25(27(35)37-8-2)32-15-17-33(18-16-32)28-31-24(20-38-28)21-9-10-22-23(19-21)30(5,6)14-13-29(22,3)4;1-25(2)12-13-26(3,4)22-18-20(8-9-21(22)25)23-27-24(31-28-23)19-10-15-29(16-11-19)14-6-5-7-17-30;2*1-25(2)11-12-26(3,4)22-17-20(7-8-21(22)25)24-27-18-23(30-24)19-9-14-28(15-10-19)13-5-6-16-29;1-24(2)11-12-25(3,4)21-17-19(7-8-20(21)24)22-26-23(30-27-22)18-9-14-28(15-10-18)13-5-6-16-29;2*1-24(2)9-10-25(3,4)21-13-18(5-6-20(21)24)22-16-30-23(27-22)17-7-11-28(12-8-17)14-19(26)15-29;1-20(2)9-10-21(3,4)17-13-15(5-6-16(17)20)18-23-19(25-24-18)14-7-11-22-12-8-14/h9-10,19-20,25H,7-8,11-18H2,1-6H3;8-9,18-19,30H,5-7,10-17H2,1-4H3;2*7-8,17-19,29H,5-6,9-16H2,1-4H3;7-8,17-18,29H,5-6,9-16H2,1-4H3;2*5-6,13,16-17,19,29H,7-12,14-15,26H2,1-4H3;5-6,13-14,22H,7-12H2,1-4H3/t;;;;;2*19-;/m.....10./s1
InChIKeySCOLOCNNZZPAEH-SSWUEAJYSA-N
MW3411.04 g/mol
LogP41.64
Rot. Bonds46

About (2R)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol;(2S)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol;diethyl 2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentanedioate;5-piperidin-4-yl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazole;4-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-ol;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]butan-1-ol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-5-yl]piperidin-1-yl]butan-1-ol

(2R)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol;(2S)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol;diethyl 2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentanedioate;5-piperidin-4-yl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazole;4-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-ol;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]butan-1-ol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-5-yl]piperidin-1-yl]butan-1-ol (PubChem CID 160796996) has the molecular formula C204H298N22O14S4 and a molecular weight of 3411.04 g/mol. Its IUPAC name is (2R)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol;(2S)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol;diethyl 2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentanedioate;5-piperidin-4-yl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazole;4-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-ol;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]butan-1-ol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-5-yl]piperidin-1-yl]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol;(2S)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol;diethyl 2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentanedioate;5-piperidin-4-yl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazole;4-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-ol;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]butan-1-ol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-5-yl]piperidin-1-yl]butan-1-ol
PubChem CID160796996
Molecular FormulaC204H298N22O14S4
Molecular Weight3411.04 g/mol
Exact Mass3408.22
IUPAC Name(2R)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol;(2S)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol;diethyl 2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentanedioate;5-piperidin-4-yl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazole;4-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-ol;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]butan-1-ol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-5-yl]piperidin-1-yl]butan-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(C4CCN(C[C@@H](N)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(C4CCN(C[C@H](N)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3ncc(C4CCN(CCCCO)CC4)o3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3ncc(C4CCN(CCCCO)CC4)s3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3noc(C4CCN(CCCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3noc(C4CCN(CCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3noc(C4CCNCC4)n3)ccc21.CCOC(=O)CCC(C(=O)OCC)N1CCN(c2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cs2)CC1
InChIInChI=1S/C30H43N3O4S.C26H39N3O2.C26H38N2O2.C26H38N2OS.C25H37N3O2.2C25H37N3OS.C21H29N3O/c1-7-36-26(34)12-11-25(27(35)37-8-2)32-15-17-33(18-16-32)28-31-24(20-38-28)21-9-10-22-23(19-21)30(5,6)14-13-29(22,3)4;1-25(2)12-13-26(3,4)22-18-20(8-9-21(22)25)23-27-24(31-28-23)19-10-15-29(16-11-19)14-6-5-7-17-30;2*1-25(2)11-12-26(3,4)22-17-20(7-8-21(22)25)24-27-18-23(30-24)19-9-14-28(15-10-19)13-5-6-16-29;1-24(2)11-12-25(3,4)21-17-19(7-8-20(21)24)22-26-23(30-27-22)18-9-14-28(15-10-18)13-5-6-16-29;2*1-24(2)9-10-25(3,4)21-13-18(5-6-20(21)24)22-16-30-23(27-22)17-7-11-28(12-8-17)14-19(26)15-29;1-20(2)9-10-21(3,4)17-13-15(5-6-16(17)20)18-23-19(25-24-18)14-7-11-22-12-8-14/h9-10,19-20,25H,7-8,11-18H2,1-6H3;8-9,18-19,30H,5-7,10-17H2,1-4H3;2*7-8,17-19,29H,5-6,9-16H2,1-4H3;7-8,17-18,29H,5-6,9-16H2,1-4H3;2*5-6,13,16-17,19,29H,7-12,14-15,26H2,1-4H3;5-6,13-14,22H,7-12H2,1-4H3/t;;;;;2*19-;/m.....10./s1
InChIKeySCOLOCNNZZPAEH-SSWUEAJYSA-N
XLogP41.64
TPSA458.32 Ų
H-Bond Donors9
H-Bond Acceptors40
Rotatable Bonds46
Heavy Atoms244
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003411.04
LogP ≤ 541.64
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol;(2S)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol;diethyl 2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentanedioate;5-piperidin-4-yl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazole;4-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-ol;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]butan-1-ol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-5-yl]piperidin-1-yl]butan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol;(2S)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol;diethyl 2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentanedioate;5-piperidin-4-yl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazole;4-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-ol;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]butan-1-ol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-5-yl]piperidin-1-yl]butan-1-ol?
The IUPAC name of (2R)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol;(2S)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol;diethyl 2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentanedioate;5-piperidin-4-yl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazole;4-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-ol;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]butan-1-ol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-5-yl]piperidin-1-yl]butan-1-ol (CID 160796996) is (2R)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol;(2S)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol;diethyl 2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentanedioate;5-piperidin-4-yl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazole;4-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-ol;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]butan-1-ol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-5-yl]piperidin-1-yl]butan-1-ol.
What is the SMILES notation for (2R)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol;(2S)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol;diethyl 2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentanedioate;5-piperidin-4-yl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazole;4-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-ol;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]butan-1-ol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-5-yl]piperidin-1-yl]butan-1-ol?
The canonical SMILES for (2R)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol;(2S)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol;diethyl 2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentanedioate;5-piperidin-4-yl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazole;4-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-ol;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]butan-1-ol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-5-yl]piperidin-1-yl]butan-1-ol is CC1(C)CCC(C)(C)c2cc(-c3csc(C4CCN(C[C@@H](N)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(C4CCN(C[C@H](N)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3ncc(C4CCN(CCCCO)CC4)o3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3ncc(C4CCN(CCCCO)CC4)s3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3noc(C4CCN(CCCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3noc(C4CCN(CCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3noc(C4CCNCC4)n3)ccc21.CCOC(=O)CCC(C(=O)OCC)N1CCN(c2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cs2)CC1.
What is the InChIKey of (2R)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol;(2S)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol;diethyl 2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentanedioate;5-piperidin-4-yl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazole;4-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-ol;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]butan-1-ol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-5-yl]piperidin-1-yl]butan-1-ol?
The InChIKey is SCOLOCNNZZPAEH-SSWUEAJYSA-N. The full InChI is InChI=1S/C30H43N3O4S.C26H39N3O2.C26H38N2O2.C26H38N2OS.C25H37N3O2.2C25H37N3OS.C21H29N3O/c1-7-36-26(34)12-11-25(27(35)37-8-2)32-15-17-33(18-16-32)28-31-24(20-38-28)21-9-10-22-23(19-21)30(5,6)14-13-29(22,3)4;1-25(2)12-13-26(3,4)22-18-20(8-9-21(22)25)23-27-24(31-28-23)19-10-15-29(16-11-19)14-6-5-7-17-30;2*1-25(2)11-12-26(3,4)22-17-20(7-8-21(22)25)24-27-18-23(30-24)19-9-14-28(15-10-19)13-5-6-16-29;1-24(2)11-12-25(3,4)21-17-19(7-8-20(21)24)22-26-23(30-27-22)18-9-14-28(15-10-18)13-5-6-16-29;2*1-24(2)9-10-25(3,4)21-13-18(5-6-20(21)24)22-16-30-23(27-22)17-7-11-28(12-8-17)14-19(26)15-29;1-20(2)9-10-21(3,4)17-13-15(5-6-16(17)20)18-23-19(25-24-18)14-7-11-22-12-8-14/h9-10,19-20,25H,7-8,11-18H2,1-6H3;8-9,18-19,30H,5-7,10-17H2,1-4H3;2*7-8,17-19,29H,5-6,9-16H2,1-4H3;7-8,17-18,29H,5-6,9-16H2,1-4H3;2*5-6,13,16-17,19,29H,7-12,14-15,26H2,1-4H3;5-6,13-14,22H,7-12H2,1-4H3/t;;;;;2*19-;/m.....10./s1.
What are the key properties of (2R)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol;(2S)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol;diethyl 2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentanedioate;5-piperidin-4-yl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazole;4-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-ol;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]butan-1-ol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-5-yl]piperidin-1-yl]butan-1-ol?
(2R)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol;(2S)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol;diethyl 2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentanedioate;5-piperidin-4-yl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazole;4-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-ol;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]butan-1-ol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-5-yl]piperidin-1-yl]butan-1-ol has a molecular weight of 3411.04 g/mol, XLogP of 41.64, 46 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol;(2S)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol;diethyl 2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentanedioate;5-piperidin-4-yl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazole;4-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-ol;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentan-1-ol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-oxazol-5-yl]piperidin-1-yl]butan-1-ol;4-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-5-yl]piperidin-1-yl]butan-1-ol is sourced from PubChem (CID 160796996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).