(2S)-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;1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;2-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;6-[4-(2-hydroxyethyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;6-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]hexan-1-ol;(2R)-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,2-diol;(2S)-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,2-diol

C206H305N21O12S8 — CID 158525459

IUPAC(2S)-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;1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;2-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;6-[4-(2-hydroxyethyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;6-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]hexan-1-ol;(2R)-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,2-diol;(2S)-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,2-diol
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(CCO)(CCCCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(CC[C@@H](O)CO)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(CC[C@H](O)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(N(CCO)CCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(NCCCCCCO)CC4)n3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCC(N(CCO)CCO)CC4)n3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCC(N)CC4)n3)ccc21
InChIInChI=1S/C30H46N2O2S.C28H43N3OS.C26H39N3O2S.C26H39N3OS.2C26H38N2O2S.C24H35N3O2S.C20H27N3S/c1-28(2)12-13-29(3,4)25-21-23(9-10-24(25)28)26-22-35-27(31-26)32-17-14-30(15-18-32,16-20-34)11-7-5-6-8-19-33;1-27(2)13-14-28(3,4)24-19-21(9-10-23(24)27)25-20-33-26(30-25)31-16-11-22(12-17-31)29-15-7-5-6-8-18-32;1-25(2)9-10-26(3,4)22-17-19(5-6-21(22)25)23-18-32-24(27-23)29-11-7-20(8-12-29)28(13-15-30)14-16-31;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;2*1-25(2)11-12-26(3,4)22-15-19(6-8-21(22)25)23-17-31-24(27-23)28-13-9-18(10-14-28)5-7-20(30)16-29;1-24(2)9-3-4-18-16-19(5-6-21(18)24)22-17-30-23(25-22)27-10-7-20(8-11-27)26(12-14-28)13-15-29;1-20(2)9-3-4-14-12-15(5-6-17(14)20)18-13-24-19(22-18)23-10-7-16(21)8-11-23/h9-10,21-22,33-34H,5-8,11-20H2,1-4H3;9-10,19-20,22,29,32H,5-8,11-18H2,1-4H3;5-6,17-18,20,30-31H,7-16H2,1-4H3;6,8,15,17-18,20,30H,5,7,9-14,16,27H2,1-4H3;2*6,8,15,17-18,20,29-30H,5,7,9-14,16H2,1-4H3;5-6,16-17,20,28-29H,3-4,7-15H2,1-2H3;5-6,12-13,16H,3-4,7-11,21H2,1-2H3/t;;;3*20-;;/m...010../s1
InChIKeyHMSRRBROFKUMRE-LMVGLNMMSA-N
MW3524.38 g/mol
LogP42.28
Rot. Bonds53

About (2S)-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;1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;2-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;6-[4-(2-hydroxyethyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;6-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]hexan-1-ol;(2R)-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,2-diol;(2S)-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,2-diol

(2S)-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;1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;2-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;6-[4-(2-hydroxyethyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;6-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]hexan-1-ol;(2R)-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,2-diol;(2S)-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,2-diol (PubChem CID 158525459) has the molecular formula C206H305N21O12S8 and a molecular weight of 3524.38 g/mol. Its IUPAC name is (2S)-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;1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;2-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;6-[4-(2-hydroxyethyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;6-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]hexan-1-ol;(2R)-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,2-diol;(2S)-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,2-diol.

Molecular Properties

Compound Name(2S)-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;1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;2-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;6-[4-(2-hydroxyethyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;6-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]hexan-1-ol;(2R)-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,2-diol;(2S)-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,2-diol
PubChem CID158525459
Molecular FormulaC206H305N21O12S8
Molecular Weight3524.38 g/mol
Exact Mass3521.17
IUPAC Name(2S)-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;1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;2-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;6-[4-(2-hydroxyethyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;6-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]hexan-1-ol;(2R)-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,2-diol;(2S)-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,2-diol
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(CCO)(CCCCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(CC[C@@H](O)CO)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(CC[C@H](O)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(N(CCO)CCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(NCCCCCCO)CC4)n3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCC(N(CCO)CCO)CC4)n3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCC(N)CC4)n3)ccc21
InChIInChI=1S/C30H46N2O2S.C28H43N3OS.C26H39N3O2S.C26H39N3OS.2C26H38N2O2S.C24H35N3O2S.C20H27N3S/c1-28(2)12-13-29(3,4)25-21-23(9-10-24(25)28)26-22-35-27(31-26)32-17-14-30(15-18-32,16-20-34)11-7-5-6-8-19-33;1-27(2)13-14-28(3,4)24-19-21(9-10-23(24)27)25-20-33-26(30-25)31-16-11-22(12-17-31)29-15-7-5-6-8-18-32;1-25(2)9-10-26(3,4)22-17-19(5-6-21(22)25)23-18-32-24(27-23)29-11-7-20(8-12-29)28(13-15-30)14-16-31;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;2*1-25(2)11-12-26(3,4)22-15-19(6-8-21(22)25)23-17-31-24(27-23)28-13-9-18(10-14-28)5-7-20(30)16-29;1-24(2)9-3-4-18-16-19(5-6-21(18)24)22-17-30-23(25-22)27-10-7-20(8-11-27)26(12-14-28)13-15-29;1-20(2)9-3-4-14-12-15(5-6-17(14)20)18-13-24-19(22-18)23-10-7-16(21)8-11-23/h9-10,21-22,33-34H,5-8,11-20H2,1-4H3;9-10,19-20,22,29,32H,5-8,11-18H2,1-4H3;5-6,17-18,20,30-31H,7-16H2,1-4H3;6,8,15,17-18,20,30H,5,7,9-14,16,27H2,1-4H3;2*6,8,15,17-18,20,29-30H,5,7,9-14,16H2,1-4H3;5-6,16-17,20,28-29H,3-4,7-15H2,1-2H3;5-6,12-13,16H,3-4,7-11,21H2,1-2H3/t;;;3*20-;;/m...010../s1
InChIKeyHMSRRBROFKUMRE-LMVGLNMMSA-N
XLogP42.28
TPSA442.35 Ų
H-Bond Donors15
H-Bond Acceptors41
Rotatable Bonds53
Heavy Atoms247
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003524.38
LogP ≤ 542.28
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze (2S)-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;1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;2-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;6-[4-(2-hydroxyethyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;6-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]hexan-1-ol;(2R)-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,2-diol;(2S)-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-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;1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;2-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;6-[4-(2-hydroxyethyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;6-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]hexan-1-ol;(2R)-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,2-diol;(2S)-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,2-diol?
The IUPAC name of (2S)-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;1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;2-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;6-[4-(2-hydroxyethyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;6-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]hexan-1-ol;(2R)-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,2-diol;(2S)-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,2-diol (CID 158525459) is (2S)-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;1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;2-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;6-[4-(2-hydroxyethyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;6-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]hexan-1-ol;(2R)-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,2-diol;(2S)-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,2-diol.
What is the SMILES notation for (2S)-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;1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;2-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;6-[4-(2-hydroxyethyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;6-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]hexan-1-ol;(2R)-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,2-diol;(2S)-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,2-diol?
The canonical SMILES for (2S)-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;1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;2-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;6-[4-(2-hydroxyethyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;6-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]hexan-1-ol;(2R)-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,2-diol;(2S)-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,2-diol is CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(CCO)(CCCCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(CC[C@@H](O)CO)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(CC[C@H](O)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(N(CCO)CCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(NCCCCCCO)CC4)n3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCC(N(CCO)CCO)CC4)n3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCC(N)CC4)n3)ccc21.
What is the InChIKey of (2S)-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;1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;2-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;6-[4-(2-hydroxyethyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;6-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]hexan-1-ol;(2R)-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,2-diol;(2S)-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,2-diol?
The InChIKey is HMSRRBROFKUMRE-LMVGLNMMSA-N. The full InChI is InChI=1S/C30H46N2O2S.C28H43N3OS.C26H39N3O2S.C26H39N3OS.2C26H38N2O2S.C24H35N3O2S.C20H27N3S/c1-28(2)12-13-29(3,4)25-21-23(9-10-24(25)28)26-22-35-27(31-26)32-17-14-30(15-18-32,16-20-34)11-7-5-6-8-19-33;1-27(2)13-14-28(3,4)24-19-21(9-10-23(24)27)25-20-33-26(30-25)31-16-11-22(12-17-31)29-15-7-5-6-8-18-32;1-25(2)9-10-26(3,4)22-17-19(5-6-21(22)25)23-18-32-24(27-23)29-11-7-20(8-12-29)28(13-15-30)14-16-31;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;2*1-25(2)11-12-26(3,4)22-15-19(6-8-21(22)25)23-17-31-24(27-23)28-13-9-18(10-14-28)5-7-20(30)16-29;1-24(2)9-3-4-18-16-19(5-6-21(18)24)22-17-30-23(25-22)27-10-7-20(8-11-27)26(12-14-28)13-15-29;1-20(2)9-3-4-14-12-15(5-6-17(14)20)18-13-24-19(22-18)23-10-7-16(21)8-11-23/h9-10,21-22,33-34H,5-8,11-20H2,1-4H3;9-10,19-20,22,29,32H,5-8,11-18H2,1-4H3;5-6,17-18,20,30-31H,7-16H2,1-4H3;6,8,15,17-18,20,30H,5,7,9-14,16,27H2,1-4H3;2*6,8,15,17-18,20,29-30H,5,7,9-14,16H2,1-4H3;5-6,16-17,20,28-29H,3-4,7-15H2,1-2H3;5-6,12-13,16H,3-4,7-11,21H2,1-2H3/t;;;3*20-;;/m...010../s1.
What are the key properties of (2S)-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;1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;2-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;6-[4-(2-hydroxyethyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;6-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]hexan-1-ol;(2R)-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,2-diol;(2S)-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,2-diol?
(2S)-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;1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;2-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;6-[4-(2-hydroxyethyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;6-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]hexan-1-ol;(2R)-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,2-diol;(2S)-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,2-diol has a molecular weight of 3524.38 g/mol, XLogP of 42.28, 53 rotatable bonds, 15 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-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;1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;2-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;6-[4-(2-hydroxyethyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;6-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]hexan-1-ol;(2R)-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,2-diol;(2S)-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,2-diol is sourced from PubChem (CID 158525459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).