6-[4-(2-aminoethyl)-1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;(2S,3S)-2-amino-4-[[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopenta-1,3-dien-1-yl]cyclohexyl]amino]butane-1,3-diol;6-[4-(3-hydroxypropyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;5-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]pentan-1-ol;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-yl]butan-1-ol;5-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-yl]pentan-1-ol

C168H254N14O8S5 — CID 158762067

IUPAC6-[4-(2-aminoethyl)-1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;(2S,3S)-2-amino-4-[[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopenta-1,3-dien-1-yl]cyclohexyl]amino]butane-1,3-diol;6-[4-(3-hydroxypropyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;5-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]pentan-1-ol;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-yl]butan-1-ol;5-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-yl]pentan-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(CCCO)(CCCCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(NCCCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCCC(CCCCCO)C4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCCC(CCCCO)C4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(C3=CCC(C4CCC(NC[C@H](O)[C@@H](N)CO)CC4)=C3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCC(CCN)(CCCCCCO)CC4)n3)ccc21
InChIInChI=1S/C31H48N2O2S.C29H44N2O2.C28H43N3OS.C27H41N3OS.C27H40N2OS.C26H38N2OS/c1-29(2)14-15-30(3,4)26-22-24(10-11-25(26)29)27-23-36-28(32-27)33-18-16-31(17-19-33,13-9-21-35)12-7-5-6-8-20-34;1-28(2)13-14-29(3,4)25-16-22(9-12-24(25)28)21-6-5-20(15-21)19-7-10-23(11-8-19)31-17-27(33)26(30)18-32;1-27(2)11-7-8-22-20-23(9-10-24(22)27)25-21-33-26(30-25)31-17-14-28(13-16-29,15-18-31)12-5-3-4-6-19-32;1-26(2)12-13-27(3,4)23-18-20(8-9-22(23)26)24-19-32-25(29-24)30-15-10-21(11-16-30)28-14-6-5-7-17-31;1-26(2)13-14-27(3,4)23-17-21(11-12-22(23)26)24-19-31-25(28-24)29-15-8-10-20(18-29)9-6-5-7-16-30;1-25(2)12-13-26(3,4)22-16-20(10-11-21(22)25)23-18-30-24(27-23)28-14-7-9-19(17-28)8-5-6-15-29/h10-11,22-23,34-35H,5-9,12-21H2,1-4H3;6,9,12,15-16,19,23,26-27,31-33H,5,7-8,10-11,13-14,17-18,30H2,1-4H3;9-10,20-21,32H,3-8,11-19,29H2,1-2H3;8-9,18-19,21,28,31H,5-7,10-17H2,1-4H3;11-12,17,19-20,30H,5-10,13-16,18H2,1-4H3;10-11,16,18-19,29H,5-9,12-15,17H2,1-4H3/t;19?,23?,26-,27-;;;;/m.0..../s1
InChIKeyIOUKKXNPDZYYIM-NVFFKKNLSA-N
MW2758.30 g/mol
LogP37.69
Rot. Bonds49

About 6-[4-(2-aminoethyl)-1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;(2S,3S)-2-amino-4-[[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopenta-1,3-dien-1-yl]cyclohexyl]amino]butane-1,3-diol;6-[4-(3-hydroxypropyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;5-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]pentan-1-ol;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-yl]butan-1-ol;5-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-yl]pentan-1-ol

6-[4-(2-aminoethyl)-1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;(2S,3S)-2-amino-4-[[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopenta-1,3-dien-1-yl]cyclohexyl]amino]butane-1,3-diol;6-[4-(3-hydroxypropyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;5-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]pentan-1-ol;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-yl]butan-1-ol;5-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-yl]pentan-1-ol (PubChem CID 158762067) has the molecular formula C168H254N14O8S5 and a molecular weight of 2758.30 g/mol. Its IUPAC name is 6-[4-(2-aminoethyl)-1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;(2S,3S)-2-amino-4-[[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopenta-1,3-dien-1-yl]cyclohexyl]amino]butane-1,3-diol;6-[4-(3-hydroxypropyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;5-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]pentan-1-ol;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-yl]butan-1-ol;5-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-yl]pentan-1-ol.

Molecular Properties

Compound Name6-[4-(2-aminoethyl)-1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;(2S,3S)-2-amino-4-[[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopenta-1,3-dien-1-yl]cyclohexyl]amino]butane-1,3-diol;6-[4-(3-hydroxypropyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;5-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]pentan-1-ol;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-yl]butan-1-ol;5-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-yl]pentan-1-ol
PubChem CID158762067
Molecular FormulaC168H254N14O8S5
Molecular Weight2758.30 g/mol
Exact Mass2755.85
IUPAC Name6-[4-(2-aminoethyl)-1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;(2S,3S)-2-amino-4-[[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopenta-1,3-dien-1-yl]cyclohexyl]amino]butane-1,3-diol;6-[4-(3-hydroxypropyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;5-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]pentan-1-ol;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-yl]butan-1-ol;5-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-yl]pentan-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(CCCO)(CCCCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(NCCCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCCC(CCCCCO)C4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCCC(CCCCO)C4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(C3=CCC(C4CCC(NC[C@H](O)[C@@H](N)CO)CC4)=C3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCC(CCN)(CCCCCCO)CC4)n3)ccc21
InChIInChI=1S/C31H48N2O2S.C29H44N2O2.C28H43N3OS.C27H41N3OS.C27H40N2OS.C26H38N2OS/c1-29(2)14-15-30(3,4)26-22-24(10-11-25(26)29)27-23-36-28(32-27)33-18-16-31(17-19-33,13-9-21-35)12-7-5-6-8-20-34;1-28(2)13-14-29(3,4)25-16-22(9-12-24(25)28)21-6-5-20(15-21)19-7-10-23(11-8-19)31-17-27(33)26(30)18-32;1-27(2)11-7-8-22-20-23(9-10-24(22)27)25-21-33-26(30-25)31-17-14-28(13-16-29,15-18-31)12-5-3-4-6-19-32;1-26(2)12-13-27(3,4)23-18-20(8-9-22(23)26)24-19-32-25(29-24)30-15-10-21(11-16-30)28-14-6-5-7-17-31;1-26(2)13-14-27(3,4)23-17-21(11-12-22(23)26)24-19-31-25(28-24)29-15-8-10-20(18-29)9-6-5-7-16-30;1-25(2)12-13-26(3,4)22-16-20(10-11-21(22)25)23-18-30-24(27-23)28-14-7-9-19(17-28)8-5-6-15-29/h10-11,22-23,34-35H,5-9,12-21H2,1-4H3;6,9,12,15-16,19,23,26-27,31-33H,5,7-8,10-11,13-14,17-18,30H2,1-4H3;9-10,20-21,32H,3-8,11-19,29H2,1-2H3;8-9,18-19,21,28,31H,5-7,10-17H2,1-4H3;11-12,17,19-20,30H,5-10,13-16,18H2,1-4H3;10-11,16,18-19,29H,5-9,12-15,17H2,1-4H3/t;19?,23?,26-,27-;;;;/m.0..../s1
InChIKeyIOUKKXNPDZYYIM-NVFFKKNLSA-N
XLogP37.69
TPSA318.59 Ų
H-Bond Donors12
H-Bond Acceptors27
Rotatable Bonds49
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002758.30
LogP ≤ 537.69
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 6-[4-(2-aminoethyl)-1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;(2S,3S)-2-amino-4-[[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopenta-1,3-dien-1-yl]cyclohexyl]amino]butane-1,3-diol;6-[4-(3-hydroxypropyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;5-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]pentan-1-ol;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-yl]butan-1-ol;5-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-yl]pentan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-aminoethyl)-1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;(2S,3S)-2-amino-4-[[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopenta-1,3-dien-1-yl]cyclohexyl]amino]butane-1,3-diol;6-[4-(3-hydroxypropyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;5-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]pentan-1-ol;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-yl]butan-1-ol;5-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-yl]pentan-1-ol?
The IUPAC name of 6-[4-(2-aminoethyl)-1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;(2S,3S)-2-amino-4-[[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopenta-1,3-dien-1-yl]cyclohexyl]amino]butane-1,3-diol;6-[4-(3-hydroxypropyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;5-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]pentan-1-ol;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-yl]butan-1-ol;5-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-yl]pentan-1-ol (CID 158762067) is 6-[4-(2-aminoethyl)-1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;(2S,3S)-2-amino-4-[[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopenta-1,3-dien-1-yl]cyclohexyl]amino]butane-1,3-diol;6-[4-(3-hydroxypropyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;5-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]pentan-1-ol;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-yl]butan-1-ol;5-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-yl]pentan-1-ol.
What is the SMILES notation for 6-[4-(2-aminoethyl)-1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;(2S,3S)-2-amino-4-[[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopenta-1,3-dien-1-yl]cyclohexyl]amino]butane-1,3-diol;6-[4-(3-hydroxypropyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;5-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]pentan-1-ol;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-yl]butan-1-ol;5-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-yl]pentan-1-ol?
The canonical SMILES for 6-[4-(2-aminoethyl)-1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;(2S,3S)-2-amino-4-[[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopenta-1,3-dien-1-yl]cyclohexyl]amino]butane-1,3-diol;6-[4-(3-hydroxypropyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;5-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]pentan-1-ol;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-yl]butan-1-ol;5-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-yl]pentan-1-ol is CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(CCCO)(CCCCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(NCCCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCCC(CCCCCO)C4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCCC(CCCCO)C4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(C3=CCC(C4CCC(NC[C@H](O)[C@@H](N)CO)CC4)=C3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCC(CCN)(CCCCCCO)CC4)n3)ccc21.
What is the InChIKey of 6-[4-(2-aminoethyl)-1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;(2S,3S)-2-amino-4-[[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopenta-1,3-dien-1-yl]cyclohexyl]amino]butane-1,3-diol;6-[4-(3-hydroxypropyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;5-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]pentan-1-ol;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-yl]butan-1-ol;5-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-yl]pentan-1-ol?
The InChIKey is IOUKKXNPDZYYIM-NVFFKKNLSA-N. The full InChI is InChI=1S/C31H48N2O2S.C29H44N2O2.C28H43N3OS.C27H41N3OS.C27H40N2OS.C26H38N2OS/c1-29(2)14-15-30(3,4)26-22-24(10-11-25(26)29)27-23-36-28(32-27)33-18-16-31(17-19-33,13-9-21-35)12-7-5-6-8-20-34;1-28(2)13-14-29(3,4)25-16-22(9-12-24(25)28)21-6-5-20(15-21)19-7-10-23(11-8-19)31-17-27(33)26(30)18-32;1-27(2)11-7-8-22-20-23(9-10-24(22)27)25-21-33-26(30-25)31-17-14-28(13-16-29,15-18-31)12-5-3-4-6-19-32;1-26(2)12-13-27(3,4)23-18-20(8-9-22(23)26)24-19-32-25(29-24)30-15-10-21(11-16-30)28-14-6-5-7-17-31;1-26(2)13-14-27(3,4)23-17-21(11-12-22(23)26)24-19-31-25(28-24)29-15-8-10-20(18-29)9-6-5-7-16-30;1-25(2)12-13-26(3,4)22-16-20(10-11-21(22)25)23-18-30-24(27-23)28-14-7-9-19(17-28)8-5-6-15-29/h10-11,22-23,34-35H,5-9,12-21H2,1-4H3;6,9,12,15-16,19,23,26-27,31-33H,5,7-8,10-11,13-14,17-18,30H2,1-4H3;9-10,20-21,32H,3-8,11-19,29H2,1-2H3;8-9,18-19,21,28,31H,5-7,10-17H2,1-4H3;11-12,17,19-20,30H,5-10,13-16,18H2,1-4H3;10-11,16,18-19,29H,5-9,12-15,17H2,1-4H3/t;19?,23?,26-,27-;;;;/m.0..../s1.
What are the key properties of 6-[4-(2-aminoethyl)-1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;(2S,3S)-2-amino-4-[[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopenta-1,3-dien-1-yl]cyclohexyl]amino]butane-1,3-diol;6-[4-(3-hydroxypropyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;5-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]pentan-1-ol;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-yl]butan-1-ol;5-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-yl]pentan-1-ol?
6-[4-(2-aminoethyl)-1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;(2S,3S)-2-amino-4-[[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopenta-1,3-dien-1-yl]cyclohexyl]amino]butane-1,3-diol;6-[4-(3-hydroxypropyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;5-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]pentan-1-ol;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-yl]butan-1-ol;5-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-yl]pentan-1-ol has a molecular weight of 2758.30 g/mol, XLogP of 37.69, 49 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-aminoethyl)-1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;(2S,3S)-2-amino-4-[[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopenta-1,3-dien-1-yl]cyclohexyl]amino]butane-1,3-diol;6-[4-(3-hydroxypropyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]hexan-1-ol;5-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]pentan-1-ol;4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-yl]butan-1-ol;5-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-yl]pentan-1-ol is sourced from PubChem (CID 158762067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).