(2S,3S)-2-amino-6-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]hexane-1,3-diol;(2S,3S)-2-amino-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butane-1,3-diol;4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]butan-1-ol;3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]propan-1-ol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-amine;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

C179H266N20O8S7 — CID 159339896

IUPAC(2S,3S)-2-amino-6-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]hexane-1,3-diol;(2S,3S)-2-amino-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butane-1,3-diol;4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]butan-1-ol;3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]propan-1-ol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-amine;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(C4CCN(C[C@H](O)[C@@H](N)CO)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(-c3csc(N4CCCC(N)C4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCCN(CCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCCN(CCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCN(CCC[C@H](O)[C@@H](N)CO)CC4)n3)ccc21
InChIInChI=1S/C27H42N4O2S.C27H40N2OS.C26H39N3O2S.C26H39N3OS.C26H38N2OS.C25H37N3OS.C22H31N3S/c1-26(2)9-10-27(3,4)21-16-19(7-8-20(21)26)23-18-34-25(29-23)31-14-12-30(13-15-31)11-5-6-24(33)22(28)17-32;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)9-10-26(3,4)20-13-18(5-6-19(20)25)22-16-32-24(28-22)17-7-11-29(12-8-17)14-23(31)21(27)15-30;1-25(2)10-11-26(3,4)22-18-20(8-9-21(22)25)23-19-31-24(27-23)29-14-7-13-28(15-16-29)12-5-6-17-30;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;1-24(2)9-10-25(3,4)21-17-19(7-8-20(21)24)22-18-30-23(26-22)28-13-5-11-27(14-15-28)12-6-16-29;1-21(2)9-10-22(3,4)18-12-15(7-8-17(18)21)19-14-26-20(24-19)25-11-5-6-16(23)13-25/h7-8,16,18,22,24,32-33H,5-6,9-15,17,28H2,1-4H3;11-12,17,19-20,30H,5-10,13-16,18H2,1-4H3;5-6,13,16-17,21,23,30-31H,7-12,14-15,27H2,1-4H3;8-9,18-19,30H,5-7,10-17H2,1-4H3;10-11,16,18-19,29H,5-9,12-15,17H2,1-4H3;7-8,17-18,29H,5-6,9-16H2,1-4H3;7-8,12,14,16H,5-6,9-11,13,23H2,1-4H3/t22-,24-;;21-,23-;;;;/m0.0..../s1
InChIKeyLFZVZZSXINNVNQ-QZJZZEGOSA-N
MW3050.70 g/mol
LogP36.81
Rot. Bonds40

About (2S,3S)-2-amino-6-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]hexane-1,3-diol;(2S,3S)-2-amino-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butane-1,3-diol;4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]butan-1-ol;3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]propan-1-ol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-amine;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

(2S,3S)-2-amino-6-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]hexane-1,3-diol;(2S,3S)-2-amino-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butane-1,3-diol;4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]butan-1-ol;3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]propan-1-ol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-amine;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 159339896) has the molecular formula C179H266N20O8S7 and a molecular weight of 3050.70 g/mol. Its IUPAC name is (2S,3S)-2-amino-6-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]hexane-1,3-diol;(2S,3S)-2-amino-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butane-1,3-diol;4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]butan-1-ol;3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]propan-1-ol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-amine;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 Name(2S,3S)-2-amino-6-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]hexane-1,3-diol;(2S,3S)-2-amino-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butane-1,3-diol;4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]butan-1-ol;3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]propan-1-ol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-amine;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 CID159339896
Molecular FormulaC179H266N20O8S7
Molecular Weight3050.70 g/mol
Exact Mass3047.91
IUPAC Name(2S,3S)-2-amino-6-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]hexane-1,3-diol;(2S,3S)-2-amino-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butane-1,3-diol;4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]butan-1-ol;3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]propan-1-ol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-amine;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(C4CCN(C[C@H](O)[C@@H](N)CO)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(-c3csc(N4CCCC(N)C4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCCN(CCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCCN(CCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCN(CCC[C@H](O)[C@@H](N)CO)CC4)n3)ccc21
InChIInChI=1S/C27H42N4O2S.C27H40N2OS.C26H39N3O2S.C26H39N3OS.C26H38N2OS.C25H37N3OS.C22H31N3S/c1-26(2)9-10-27(3,4)21-16-19(7-8-20(21)26)23-18-34-25(29-23)31-14-12-30(13-15-31)11-5-6-24(33)22(28)17-32;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)9-10-26(3,4)20-13-18(5-6-19(20)25)22-16-32-24(28-22)17-7-11-29(12-8-17)14-23(31)21(27)15-30;1-25(2)10-11-26(3,4)22-18-20(8-9-21(22)25)23-19-31-24(27-23)29-14-7-13-28(15-16-29)12-5-6-17-30;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;1-24(2)9-10-25(3,4)21-17-19(7-8-20(21)24)22-18-30-23(26-22)28-13-5-11-27(14-15-28)12-6-16-29;1-21(2)9-10-22(3,4)18-12-15(7-8-17(18)21)19-14-26-20(24-19)25-11-5-6-16(23)13-25/h7-8,16,18,22,24,32-33H,5-6,9-15,17,28H2,1-4H3;11-12,17,19-20,30H,5-10,13-16,18H2,1-4H3;5-6,13,16-17,21,23,30-31H,7-12,14-15,27H2,1-4H3;8-9,18-19,30H,5-7,10-17H2,1-4H3;10-11,16,18-19,29H,5-9,12-15,17H2,1-4H3;7-8,17-18,29H,5-6,9-16H2,1-4H3;7-8,12,14,16H,5-6,9-11,13,23H2,1-4H3/t22-,24-;;21-,23-;;;;/m0.0..../s1
InChIKeyLFZVZZSXINNVNQ-QZJZZEGOSA-N
XLogP36.81
TPSA362.53 Ų
H-Bond Donors11
H-Bond Acceptors35
Rotatable Bonds40
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003050.70
LogP ≤ 536.81
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze (2S,3S)-2-amino-6-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]hexane-1,3-diol;(2S,3S)-2-amino-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butane-1,3-diol;4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]butan-1-ol;3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]propan-1-ol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-amine;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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-6-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]hexane-1,3-diol;(2S,3S)-2-amino-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butane-1,3-diol;4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]butan-1-ol;3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]propan-1-ol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-amine;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 (2S,3S)-2-amino-6-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]hexane-1,3-diol;(2S,3S)-2-amino-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butane-1,3-diol;4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]butan-1-ol;3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]propan-1-ol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-amine;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 159339896) is (2S,3S)-2-amino-6-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]hexane-1,3-diol;(2S,3S)-2-amino-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butane-1,3-diol;4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]butan-1-ol;3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]propan-1-ol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-amine;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 (2S,3S)-2-amino-6-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]hexane-1,3-diol;(2S,3S)-2-amino-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butane-1,3-diol;4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]butan-1-ol;3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]propan-1-ol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-amine;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 (2S,3S)-2-amino-6-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]hexane-1,3-diol;(2S,3S)-2-amino-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butane-1,3-diol;4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]butan-1-ol;3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]propan-1-ol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-amine;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(C4CCN(C[C@H](O)[C@@H](N)CO)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(-c3csc(N4CCCC(N)C4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCCN(CCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCCN(CCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCN(CCC[C@H](O)[C@@H](N)CO)CC4)n3)ccc21.
What is the InChIKey of (2S,3S)-2-amino-6-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]hexane-1,3-diol;(2S,3S)-2-amino-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butane-1,3-diol;4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]butan-1-ol;3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]propan-1-ol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-amine;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 LFZVZZSXINNVNQ-QZJZZEGOSA-N. The full InChI is InChI=1S/C27H42N4O2S.C27H40N2OS.C26H39N3O2S.C26H39N3OS.C26H38N2OS.C25H37N3OS.C22H31N3S/c1-26(2)9-10-27(3,4)21-16-19(7-8-20(21)26)23-18-34-25(29-23)31-14-12-30(13-15-31)11-5-6-24(33)22(28)17-32;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)9-10-26(3,4)20-13-18(5-6-19(20)25)22-16-32-24(28-22)17-7-11-29(12-8-17)14-23(31)21(27)15-30;1-25(2)10-11-26(3,4)22-18-20(8-9-21(22)25)23-19-31-24(27-23)29-14-7-13-28(15-16-29)12-5-6-17-30;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;1-24(2)9-10-25(3,4)21-17-19(7-8-20(21)24)22-18-30-23(26-22)28-13-5-11-27(14-15-28)12-6-16-29;1-21(2)9-10-22(3,4)18-12-15(7-8-17(18)21)19-14-26-20(24-19)25-11-5-6-16(23)13-25/h7-8,16,18,22,24,32-33H,5-6,9-15,17,28H2,1-4H3;11-12,17,19-20,30H,5-10,13-16,18H2,1-4H3;5-6,13,16-17,21,23,30-31H,7-12,14-15,27H2,1-4H3;8-9,18-19,30H,5-7,10-17H2,1-4H3;10-11,16,18-19,29H,5-9,12-15,17H2,1-4H3;7-8,17-18,29H,5-6,9-16H2,1-4H3;7-8,12,14,16H,5-6,9-11,13,23H2,1-4H3/t22-,24-;;21-,23-;;;;/m0.0..../s1.
What are the key properties of (2S,3S)-2-amino-6-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]hexane-1,3-diol;(2S,3S)-2-amino-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butane-1,3-diol;4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]butan-1-ol;3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]propan-1-ol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-amine;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?
(2S,3S)-2-amino-6-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]hexane-1,3-diol;(2S,3S)-2-amino-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butane-1,3-diol;4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]butan-1-ol;3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]propan-1-ol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-amine;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 3050.70 g/mol, XLogP of 36.81, 40 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-6-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]hexane-1,3-diol;(2S,3S)-2-amino-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butane-1,3-diol;4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]butan-1-ol;3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]propan-1-ol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-3-amine;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 159339896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).