(2S,3R)-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;4-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol;2-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;1-[4-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;2-[[1-[4-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;4-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-ol;3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]azepan-4-yl]amino]propan-1-ol

C163H235N21O7S7 — CID 159646274

IUPAC(2S,3R)-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;4-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol;2-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;1-[4-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;2-[[1-[4-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;4-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-ol;3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]azepan-4-yl]amino]propan-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(N4CCCC(NCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCN(CCC[C@@H](O)[C@@H](N)CO)CC4)n3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCC(NCCCCO)CC4)n3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCC(NCCO)CC4)n3)ccc21.CC1CCC(C)c2cc(-c3csc(N4CCC(N)CC4)n3)ccc21.CC1CCC(C)c2cc(-c3csc(N4CCC(NCCO)CC4)n3)ccc21.OCCCCN1CCC(c2nc(-c3ccc4c(c3)CCCC4)cs2)CC1
InChIInChI=1S/C27H42N4O2S.C26H39N3OS.C24H35N3OS.2C22H31N3OS.C22H30N2OS.C20H27N3S/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;1-25(2)11-12-26(3,4)22-17-19(8-9-21(22)25)23-18-31-24(28-23)29-14-5-7-20(10-15-29)27-13-6-16-30;1-24(2)11-5-6-18-16-19(7-8-21(18)24)22-17-29-23(26-22)27-13-9-20(10-14-27)25-12-3-4-15-28;1-15-3-4-16(2)20-13-17(5-6-19(15)20)21-14-27-22(24-21)25-10-7-18(8-11-25)23-9-12-26;1-22(2)9-3-4-16-14-17(5-6-19(16)22)20-15-27-21(24-20)25-11-7-18(8-12-25)23-10-13-26;25-14-4-3-11-24-12-9-18(10-13-24)22-23-21(16-26-22)20-8-7-17-5-1-2-6-19(17)15-20;1-13-3-4-14(2)18-11-15(5-6-17(13)18)19-12-24-20(22-19)23-9-7-16(21)8-10-23/h7-8,16,18,22,24,32-33H,5-6,9-15,17,28H2,1-4H3;8-9,17-18,20,27,30H,5-7,10-16H2,1-4H3;7-8,16-17,20,25,28H,3-6,9-15H2,1-2H3;5-6,13-16,18,23,26H,3-4,7-12H2,1-2H3;5-6,14-15,18,23,26H,3-4,7-13H2,1-2H3;7-8,15-16,18,25H,1-6,9-14H2;5-6,11-14,16H,3-4,7-10,21H2,1-2H3/t22-,24+;;;;;;/m0....../s1
InChIKeyMQZPEIIMKSLUQS-ILDABWKQSA-N
MW2825.28 g/mol
LogP31.70
Rot. Bonds39

About (2S,3R)-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;4-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol;2-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;1-[4-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;2-[[1-[4-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;4-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-ol;3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]azepan-4-yl]amino]propan-1-ol

(2S,3R)-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;4-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol;2-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;1-[4-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;2-[[1-[4-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;4-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-ol;3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]azepan-4-yl]amino]propan-1-ol (PubChem CID 159646274) has the molecular formula C163H235N21O7S7 and a molecular weight of 2825.28 g/mol. Its IUPAC name is (2S,3R)-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;4-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol;2-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;1-[4-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;2-[[1-[4-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;4-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-ol;3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]azepan-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name(2S,3R)-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;4-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol;2-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;1-[4-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;2-[[1-[4-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;4-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-ol;3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]azepan-4-yl]amino]propan-1-ol
PubChem CID159646274
Molecular FormulaC163H235N21O7S7
Molecular Weight2825.28 g/mol
Exact Mass2822.67
IUPAC Name(2S,3R)-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;4-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol;2-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;1-[4-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;2-[[1-[4-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;4-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-ol;3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]azepan-4-yl]amino]propan-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(N4CCCC(NCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCN(CCC[C@@H](O)[C@@H](N)CO)CC4)n3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCC(NCCCCO)CC4)n3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCC(NCCO)CC4)n3)ccc21.CC1CCC(C)c2cc(-c3csc(N4CCC(N)CC4)n3)ccc21.CC1CCC(C)c2cc(-c3csc(N4CCC(NCCO)CC4)n3)ccc21.OCCCCN1CCC(c2nc(-c3ccc4c(c3)CCCC4)cs2)CC1
InChIInChI=1S/C27H42N4O2S.C26H39N3OS.C24H35N3OS.2C22H31N3OS.C22H30N2OS.C20H27N3S/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;1-25(2)11-12-26(3,4)22-17-19(8-9-21(22)25)23-18-31-24(28-23)29-14-5-7-20(10-15-29)27-13-6-16-30;1-24(2)11-5-6-18-16-19(7-8-21(18)24)22-17-29-23(26-22)27-13-9-20(10-14-27)25-12-3-4-15-28;1-15-3-4-16(2)20-13-17(5-6-19(15)20)21-14-27-22(24-21)25-10-7-18(8-11-25)23-9-12-26;1-22(2)9-3-4-16-14-17(5-6-19(16)22)20-15-27-21(24-20)25-11-7-18(8-12-25)23-10-13-26;25-14-4-3-11-24-12-9-18(10-13-24)22-23-21(16-26-22)20-8-7-17-5-1-2-6-19(17)15-20;1-13-3-4-14(2)18-11-15(5-6-17(13)18)19-12-24-20(22-19)23-9-7-16(21)8-10-23/h7-8,16,18,22,24,32-33H,5-6,9-15,17,28H2,1-4H3;8-9,17-18,20,27,30H,5-7,10-16H2,1-4H3;7-8,16-17,20,25,28H,3-6,9-15H2,1-2H3;5-6,13-16,18,23,26H,3-4,7-12H2,1-2H3;5-6,14-15,18,23,26H,3-4,7-13H2,1-2H3;7-8,15-16,18,25H,1-6,9-14H2;5-6,11-14,16H,3-4,7-10,21H2,1-2H3/t22-,24+;;;;;;/m0....../s1
InChIKeyMQZPEIIMKSLUQS-ILDABWKQSA-N
XLogP31.70
TPSA357.92 Ų
H-Bond Donors13
H-Bond Acceptors35
Rotatable Bonds39
Heavy Atoms198
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002825.28
LogP ≤ 531.70
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze (2S,3R)-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;4-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol;2-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;1-[4-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;2-[[1-[4-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;4-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-ol;3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]azepan-4-yl]amino]propan-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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-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;4-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol;2-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;1-[4-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;2-[[1-[4-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;4-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-ol;3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]azepan-4-yl]amino]propan-1-ol?
The IUPAC name of (2S,3R)-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;4-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol;2-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;1-[4-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;2-[[1-[4-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;4-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-ol;3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]azepan-4-yl]amino]propan-1-ol (CID 159646274) is (2S,3R)-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;4-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol;2-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;1-[4-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;2-[[1-[4-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;4-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-ol;3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]azepan-4-yl]amino]propan-1-ol.
What is the SMILES notation for (2S,3R)-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;4-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol;2-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;1-[4-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;2-[[1-[4-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;4-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-ol;3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]azepan-4-yl]amino]propan-1-ol?
The canonical SMILES for (2S,3R)-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;4-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol;2-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;1-[4-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;2-[[1-[4-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;4-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-ol;3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]azepan-4-yl]amino]propan-1-ol is CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCCC(NCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCN(CCC[C@@H](O)[C@@H](N)CO)CC4)n3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCC(NCCCCO)CC4)n3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCC(NCCO)CC4)n3)ccc21.CC1CCC(C)c2cc(-c3csc(N4CCC(N)CC4)n3)ccc21.CC1CCC(C)c2cc(-c3csc(N4CCC(NCCO)CC4)n3)ccc21.OCCCCN1CCC(c2nc(-c3ccc4c(c3)CCCC4)cs2)CC1.
What is the InChIKey of (2S,3R)-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;4-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol;2-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;1-[4-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;2-[[1-[4-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;4-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-ol;3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]azepan-4-yl]amino]propan-1-ol?
The InChIKey is MQZPEIIMKSLUQS-ILDABWKQSA-N. The full InChI is InChI=1S/C27H42N4O2S.C26H39N3OS.C24H35N3OS.2C22H31N3OS.C22H30N2OS.C20H27N3S/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;1-25(2)11-12-26(3,4)22-17-19(8-9-21(22)25)23-18-31-24(28-23)29-14-5-7-20(10-15-29)27-13-6-16-30;1-24(2)11-5-6-18-16-19(7-8-21(18)24)22-17-29-23(26-22)27-13-9-20(10-14-27)25-12-3-4-15-28;1-15-3-4-16(2)20-13-17(5-6-19(15)20)21-14-27-22(24-21)25-10-7-18(8-11-25)23-9-12-26;1-22(2)9-3-4-16-14-17(5-6-19(16)22)20-15-27-21(24-20)25-11-7-18(8-12-25)23-10-13-26;25-14-4-3-11-24-12-9-18(10-13-24)22-23-21(16-26-22)20-8-7-17-5-1-2-6-19(17)15-20;1-13-3-4-14(2)18-11-15(5-6-17(13)18)19-12-24-20(22-19)23-9-7-16(21)8-10-23/h7-8,16,18,22,24,32-33H,5-6,9-15,17,28H2,1-4H3;8-9,17-18,20,27,30H,5-7,10-16H2,1-4H3;7-8,16-17,20,25,28H,3-6,9-15H2,1-2H3;5-6,13-16,18,23,26H,3-4,7-12H2,1-2H3;5-6,14-15,18,23,26H,3-4,7-13H2,1-2H3;7-8,15-16,18,25H,1-6,9-14H2;5-6,11-14,16H,3-4,7-10,21H2,1-2H3/t22-,24+;;;;;;/m0....../s1.
What are the key properties of (2S,3R)-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;4-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol;2-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;1-[4-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;2-[[1-[4-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;4-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-ol;3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]azepan-4-yl]amino]propan-1-ol?
(2S,3R)-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;4-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol;2-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;1-[4-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;2-[[1-[4-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;4-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-ol;3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]azepan-4-yl]amino]propan-1-ol has a molecular weight of 2825.28 g/mol, XLogP of 31.70, 39 rotatable bonds, 13 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-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;4-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol;2-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;1-[4-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;2-[[1-[4-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]ethanol;4-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-ol;3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]azepan-4-yl]amino]propan-1-ol is sourced from PubChem (CID 159646274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).