(2R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-(3,9-diazaspiro[5.5]undecan-3-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;4-hydroxy-1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-one;2-[4-[2-(3-methylimidazol-4-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanamine;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholine

C209H300N24O5S8 — CID 159996533

IUPAC(2R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-(3,9-diazaspiro[5.5]undecan-3-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;4-hydroxy-1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-one;2-[4-[2-(3-methylimidazol-4-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanamine;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholine
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(C(=O)CCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(CCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(CCN)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(CC[C@@H](N)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(N5CCOCC5)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC5(CCNCC5)CC4)n3)ccc21.CN1CCN(C2CCN(c3nc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)cs3)CC2)CC1.Cn1cncc1CCC1CCN(c2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cs2)CC1
InChIInChI=1S/C28H38N4S.C27H40N4S.C26H37N3OS.C26H39N3OS.C26H37N3S.C26H36N2O2S.C26H38N2OS.C24H35N3S/c1-27(2)12-13-28(3,4)24-16-21(7-9-23(24)27)25-18-33-26(30-25)32-14-10-20(11-15-32)6-8-22-17-29-19-31(22)5;1-26(2)10-11-27(3,4)23-18-20(6-7-22(23)26)24-19-32-25(28-24)31-12-8-21(9-13-31)30-16-14-29(5)15-17-30;1-25(2)9-10-26(3,4)22-17-19(5-6-21(22)25)23-18-31-24(27-23)29-11-7-20(8-12-29)28-13-15-30-16-14-28;1-25(2)11-12-26(3,4)22-15-19(6-8-21(22)25)23-17-31-24(28-23)29-13-9-18(10-14-29)5-7-20(27)16-30;1-24(2)7-8-25(3,4)21-17-19(5-6-20(21)24)22-18-30-23(28-22)29-15-11-26(12-16-29)9-13-27-14-10-26;1-25(2)11-12-26(3,4)21-16-19(7-8-20(21)25)22-17-31-24(27-22)28-13-9-18(10-14-28)23(30)6-5-15-29;1-25(2)12-13-26(3,4)22-17-20(8-9-21(22)25)23-18-30-24(27-23)28-14-10-19(11-15-28)7-5-6-16-29;1-23(2)10-11-24(3,4)20-15-18(5-6-19(20)23)21-16-28-22(26-21)27-13-8-17(7-12-25)9-14-27/h7,9,16-20H,6,8,10-15H2,1-5H3;6-7,18-19,21H,8-17H2,1-5H3;5-6,17-18,20H,7-16H2,1-4H3;6,8,15,17-18,20,30H,5,7,9-14,16,27H2,1-4H3;5-6,17-18,27H,7-16H2,1-4H3;7-8,16-18,29H,5-6,9-15H2,1-4H3;8-9,17-19,29H,5-7,10-16H2,1-4H3;5-6,15-17H,7-14,25H2,1-4H3/t;;;20-;;;;/m...1..../s1
InChIKeyOHPMTSXHUKTTNQ-HDQFKINVSA-N
MW3485.40 g/mol
LogP47.16
Rot. Bonds35

About (2R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-(3,9-diazaspiro[5.5]undecan-3-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;4-hydroxy-1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-one;2-[4-[2-(3-methylimidazol-4-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanamine;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholine

(2R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-(3,9-diazaspiro[5.5]undecan-3-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;4-hydroxy-1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-one;2-[4-[2-(3-methylimidazol-4-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanamine;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholine (PubChem CID 159996533) has the molecular formula C209H300N24O5S8 and a molecular weight of 3485.40 g/mol. Its IUPAC name is (2R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-(3,9-diazaspiro[5.5]undecan-3-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;4-hydroxy-1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-one;2-[4-[2-(3-methylimidazol-4-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanamine;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name(2R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-(3,9-diazaspiro[5.5]undecan-3-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;4-hydroxy-1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-one;2-[4-[2-(3-methylimidazol-4-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanamine;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholine
PubChem CID159996533
Molecular FormulaC209H300N24O5S8
Molecular Weight3485.40 g/mol
Exact Mass3482.17
IUPAC Name(2R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-(3,9-diazaspiro[5.5]undecan-3-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;4-hydroxy-1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-one;2-[4-[2-(3-methylimidazol-4-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanamine;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholine
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(C(=O)CCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(CCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(CCN)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(CC[C@@H](N)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(N5CCOCC5)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC5(CCNCC5)CC4)n3)ccc21.CN1CCN(C2CCN(c3nc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)cs3)CC2)CC1.Cn1cncc1CCC1CCN(c2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cs2)CC1
InChIInChI=1S/C28H38N4S.C27H40N4S.C26H37N3OS.C26H39N3OS.C26H37N3S.C26H36N2O2S.C26H38N2OS.C24H35N3S/c1-27(2)12-13-28(3,4)24-16-21(7-9-23(24)27)25-18-33-26(30-25)32-14-10-20(11-15-32)6-8-22-17-29-19-31(22)5;1-26(2)10-11-27(3,4)23-18-20(6-7-22(23)26)24-19-32-25(28-24)31-12-8-21(9-13-31)30-16-14-29(5)15-17-30;1-25(2)9-10-26(3,4)22-17-19(5-6-21(22)25)23-18-31-24(27-23)29-11-7-20(8-12-29)28-13-15-30-16-14-28;1-25(2)11-12-26(3,4)22-15-19(6-8-21(22)25)23-17-31-24(28-23)29-13-9-18(10-14-29)5-7-20(27)16-30;1-24(2)7-8-25(3,4)21-17-19(5-6-20(21)24)22-18-30-23(28-22)29-15-11-26(12-16-29)9-13-27-14-10-26;1-25(2)11-12-26(3,4)21-16-19(7-8-20(21)25)22-17-31-24(27-22)28-13-9-18(10-14-28)23(30)6-5-15-29;1-25(2)12-13-26(3,4)22-17-20(8-9-21(22)25)23-18-30-24(27-23)28-14-10-19(11-15-28)7-5-6-16-29;1-23(2)10-11-24(3,4)20-15-18(5-6-19(20)23)21-16-28-22(26-21)27-13-8-17(7-12-25)9-14-27/h7,9,16-20H,6,8,10-15H2,1-5H3;6-7,18-19,21H,8-17H2,1-5H3;5-6,17-18,20H,7-16H2,1-4H3;6,8,15,17-18,20,30H,5,7,9-14,16,27H2,1-4H3;5-6,17-18,27H,7-16H2,1-4H3;7-8,16-18,29H,5-6,9-15H2,1-4H3;8-9,17-19,29H,5-7,10-16H2,1-4H3;5-6,15-17H,7-14,25H2,1-4H3/t;;;20-;;;;/m...1..../s1
InChIKeyOHPMTSXHUKTTNQ-HDQFKINVSA-N
XLogP47.16
TPSA307.64 Ų
H-Bond Donors6
H-Bond Acceptors37
Rotatable Bonds35
Heavy Atoms246
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003485.40
LogP ≤ 547.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze (2R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-(3,9-diazaspiro[5.5]undecan-3-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;4-hydroxy-1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-one;2-[4-[2-(3-methylimidazol-4-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanamine;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-(3,9-diazaspiro[5.5]undecan-3-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;4-hydroxy-1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-one;2-[4-[2-(3-methylimidazol-4-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanamine;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholine?
The IUPAC name of (2R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-(3,9-diazaspiro[5.5]undecan-3-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;4-hydroxy-1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-one;2-[4-[2-(3-methylimidazol-4-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanamine;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholine (CID 159996533) is (2R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-(3,9-diazaspiro[5.5]undecan-3-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;4-hydroxy-1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-one;2-[4-[2-(3-methylimidazol-4-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanamine;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholine.
What is the SMILES notation for (2R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-(3,9-diazaspiro[5.5]undecan-3-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;4-hydroxy-1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-one;2-[4-[2-(3-methylimidazol-4-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanamine;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholine?
The canonical SMILES for (2R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-(3,9-diazaspiro[5.5]undecan-3-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;4-hydroxy-1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-one;2-[4-[2-(3-methylimidazol-4-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanamine;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholine is CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(C(=O)CCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(CCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(CCN)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(CC[C@@H](N)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(N5CCOCC5)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC5(CCNCC5)CC4)n3)ccc21.CN1CCN(C2CCN(c3nc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)cs3)CC2)CC1.Cn1cncc1CCC1CCN(c2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cs2)CC1.
What is the InChIKey of (2R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-(3,9-diazaspiro[5.5]undecan-3-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;4-hydroxy-1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-one;2-[4-[2-(3-methylimidazol-4-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanamine;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholine?
The InChIKey is OHPMTSXHUKTTNQ-HDQFKINVSA-N. The full InChI is InChI=1S/C28H38N4S.C27H40N4S.C26H37N3OS.C26H39N3OS.C26H37N3S.C26H36N2O2S.C26H38N2OS.C24H35N3S/c1-27(2)12-13-28(3,4)24-16-21(7-9-23(24)27)25-18-33-26(30-25)32-14-10-20(11-15-32)6-8-22-17-29-19-31(22)5;1-26(2)10-11-27(3,4)23-18-20(6-7-22(23)26)24-19-32-25(28-24)31-12-8-21(9-13-31)30-16-14-29(5)15-17-30;1-25(2)9-10-26(3,4)22-17-19(5-6-21(22)25)23-18-31-24(27-23)29-11-7-20(8-12-29)28-13-15-30-16-14-28;1-25(2)11-12-26(3,4)22-15-19(6-8-21(22)25)23-17-31-24(28-23)29-13-9-18(10-14-29)5-7-20(27)16-30;1-24(2)7-8-25(3,4)21-17-19(5-6-20(21)24)22-18-30-23(28-22)29-15-11-26(12-16-29)9-13-27-14-10-26;1-25(2)11-12-26(3,4)21-16-19(7-8-20(21)25)22-17-31-24(27-22)28-13-9-18(10-14-28)23(30)6-5-15-29;1-25(2)12-13-26(3,4)22-17-20(8-9-21(22)25)23-18-30-24(27-23)28-14-10-19(11-15-28)7-5-6-16-29;1-23(2)10-11-24(3,4)20-15-18(5-6-19(20)23)21-16-28-22(26-21)27-13-8-17(7-12-25)9-14-27/h7,9,16-20H,6,8,10-15H2,1-5H3;6-7,18-19,21H,8-17H2,1-5H3;5-6,17-18,20H,7-16H2,1-4H3;6,8,15,17-18,20,30H,5,7,9-14,16,27H2,1-4H3;5-6,17-18,27H,7-16H2,1-4H3;7-8,16-18,29H,5-6,9-15H2,1-4H3;8-9,17-19,29H,5-7,10-16H2,1-4H3;5-6,15-17H,7-14,25H2,1-4H3/t;;;20-;;;;/m...1..../s1.
What are the key properties of (2R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-(3,9-diazaspiro[5.5]undecan-3-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;4-hydroxy-1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-one;2-[4-[2-(3-methylimidazol-4-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanamine;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholine?
(2R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-(3,9-diazaspiro[5.5]undecan-3-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;4-hydroxy-1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-one;2-[4-[2-(3-methylimidazol-4-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanamine;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholine has a molecular weight of 3485.40 g/mol, XLogP of 47.16, 35 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-(3,9-diazaspiro[5.5]undecan-3-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;4-hydroxy-1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-one;2-[4-[2-(3-methylimidazol-4-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butan-1-ol;2-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanamine;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholine is sourced from PubChem (CID 159996533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).