(2S,3R)-2-amino-4-[[1-[4-(1,1-dimethyl-2,3-dihydroinden-5-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3S)-2-amino-4-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3S)-2-amino-4-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,3-diol;7-[2-[4-[[2-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]pentan-1-ol

C149H222N22O12S5 — CID 157293662

IUPAC(2S,3R)-2-amino-4-[[1-[4-(1,1-dimethyl-2,3-dihydroinden-5-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3S)-2-amino-4-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3S)-2-amino-4-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,3-diol;7-[2-[4-[[2-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]pentan-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(C[C@@H](O)[C@@H](N)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(NC[C@H](O)[C@@H](N)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3noc(N4CCN(CCCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(O)c2cc(-c3csc(N4CCN(CC5CC5CO)CC4)n3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCC(NC[C@H](O)[C@@H](N)CO)CC4)n3)ccc21.CC1(C)CCc2cc(-c3csc(N4CCC(NC[C@@H](O)[C@@H](N)CO)CC4)n3)ccc21
InChIInChI=1S/C26H40N4O2S.C26H39N3O2S.C25H38N4O2.C25H35N3O2S.C24H36N4O2S.C23H34N4O2S/c1-25(2)9-10-26(3,4)20-13-17(5-6-19(20)25)22-16-33-24(29-22)30-11-7-18(8-12-30)28-14-23(32)21(27)15-31;1-25(2)9-10-26(3,4)20-14-18(5-6-19(20)25)22-16-32-24(28-22)29-11-7-17(8-12-29)13-23(31)21(27)15-30;1-24(2)10-11-25(3,4)21-18-19(8-9-20(21)24)22-26-23(31-27-22)29-15-13-28(14-16-29)12-6-5-7-17-30;1-24(2)6-7-25(3,30)21-13-17(4-5-20(21)24)22-16-31-23(26-22)28-10-8-27(9-11-28)14-18-12-19(18)15-29;1-24(2)9-3-4-16-12-17(5-6-19(16)24)21-15-31-23(27-21)28-10-7-18(8-11-28)26-13-22(30)20(25)14-29;1-23(2)8-5-15-11-16(3-4-18(15)23)20-14-30-22(26-20)27-9-6-17(7-10-27)25-12-21(29)19(24)13-28/h5-6,13,16,18,21,23,28,31-32H,7-12,14-15,27H2,1-4H3;5-6,14,16-17,21,23,30-31H,7-13,15,27H2,1-4H3;8-9,18,30H,5-7,10-17H2,1-4H3;4-5,13,16,18-19,29-30H,6-12,14-15H2,1-3H3;5-6,12,15,18,20,22,26,29-30H,3-4,7-11,13-14,25H2,1-2H3;3-4,11,14,17,19,21,25,28-29H,5-10,12-13,24H2,1-2H3/t21-,23-;21-,23+;;;20-,22-;19-,21+/m00..00/s1
InChIKeyBBBYWKKXXAACAB-LZKHAZCKSA-N
MW2673.89 g/mol
LogP20.99
Rot. Bonds39

About (2S,3R)-2-amino-4-[[1-[4-(1,1-dimethyl-2,3-dihydroinden-5-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3S)-2-amino-4-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3S)-2-amino-4-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,3-diol;7-[2-[4-[[2-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]pentan-1-ol

(2S,3R)-2-amino-4-[[1-[4-(1,1-dimethyl-2,3-dihydroinden-5-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3S)-2-amino-4-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3S)-2-amino-4-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,3-diol;7-[2-[4-[[2-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]pentan-1-ol (PubChem CID 157293662) has the molecular formula C149H222N22O12S5 and a molecular weight of 2673.89 g/mol. Its IUPAC name is (2S,3R)-2-amino-4-[[1-[4-(1,1-dimethyl-2,3-dihydroinden-5-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3S)-2-amino-4-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3S)-2-amino-4-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,3-diol;7-[2-[4-[[2-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]pentan-1-ol.

Molecular Properties

Compound Name(2S,3R)-2-amino-4-[[1-[4-(1,1-dimethyl-2,3-dihydroinden-5-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3S)-2-amino-4-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3S)-2-amino-4-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,3-diol;7-[2-[4-[[2-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]pentan-1-ol
PubChem CID157293662
Molecular FormulaC149H222N22O12S5
Molecular Weight2673.89 g/mol
Exact Mass2671.60
IUPAC Name(2S,3R)-2-amino-4-[[1-[4-(1,1-dimethyl-2,3-dihydroinden-5-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3S)-2-amino-4-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3S)-2-amino-4-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,3-diol;7-[2-[4-[[2-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]pentan-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(C[C@@H](O)[C@@H](N)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(NC[C@H](O)[C@@H](N)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3noc(N4CCN(CCCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(O)c2cc(-c3csc(N4CCN(CC5CC5CO)CC4)n3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCC(NC[C@H](O)[C@@H](N)CO)CC4)n3)ccc21.CC1(C)CCc2cc(-c3csc(N4CCC(NC[C@@H](O)[C@@H](N)CO)CC4)n3)ccc21
InChIInChI=1S/C26H40N4O2S.C26H39N3O2S.C25H38N4O2.C25H35N3O2S.C24H36N4O2S.C23H34N4O2S/c1-25(2)9-10-26(3,4)20-13-17(5-6-19(20)25)22-16-33-24(29-22)30-11-7-18(8-12-30)28-14-23(32)21(27)15-31;1-25(2)9-10-26(3,4)20-14-18(5-6-19(20)25)22-16-32-24(28-22)29-11-7-17(8-12-29)13-23(31)21(27)15-30;1-24(2)10-11-25(3,4)21-18-19(8-9-20(21)24)22-26-23(31-27-22)29-15-13-28(14-16-29)12-6-5-7-17-30;1-24(2)6-7-25(3,30)21-13-17(4-5-20(21)24)22-16-31-23(26-22)28-10-8-27(9-11-28)14-18-12-19(18)15-29;1-24(2)9-3-4-16-12-17(5-6-19(16)24)21-15-31-23(27-21)28-10-7-18(8-11-28)26-13-22(30)20(25)14-29;1-23(2)8-5-15-11-16(3-4-18(15)23)20-14-30-22(26-20)27-9-6-17(7-10-27)25-12-21(29)19(24)13-28/h5-6,13,16,18,21,23,28,31-32H,7-12,14-15,27H2,1-4H3;5-6,14,16-17,21,23,30-31H,7-13,15,27H2,1-4H3;8-9,18,30H,5-7,10-17H2,1-4H3;4-5,13,16,18-19,29-30H,6-12,14-15H2,1-3H3;5-6,12,15,18,20,22,26,29-30H,3-4,7-11,13-14,25H2,1-2H3;3-4,11,14,17,19,21,25,28-29H,5-10,12-13,24H2,1-2H3/t21-,23-;21-,23+;;;20-,22-;19-,21+/m00..00/s1
InChIKeyBBBYWKKXXAACAB-LZKHAZCKSA-N
XLogP20.99
TPSA491.99 Ų
H-Bond Donors18
H-Bond Acceptors39
Rotatable Bonds39
Heavy Atoms188
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002673.89
LogP ≤ 520.99
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze (2S,3R)-2-amino-4-[[1-[4-(1,1-dimethyl-2,3-dihydroinden-5-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3S)-2-amino-4-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3S)-2-amino-4-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,3-diol;7-[2-[4-[[2-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]pentan-1-ol with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-4-[[1-[4-(1,1-dimethyl-2,3-dihydroinden-5-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3S)-2-amino-4-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3S)-2-amino-4-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,3-diol;7-[2-[4-[[2-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]pentan-1-ol?
The IUPAC name of (2S,3R)-2-amino-4-[[1-[4-(1,1-dimethyl-2,3-dihydroinden-5-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3S)-2-amino-4-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3S)-2-amino-4-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,3-diol;7-[2-[4-[[2-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]pentan-1-ol (CID 157293662) is (2S,3R)-2-amino-4-[[1-[4-(1,1-dimethyl-2,3-dihydroinden-5-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3S)-2-amino-4-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3S)-2-amino-4-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,3-diol;7-[2-[4-[[2-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]pentan-1-ol.
What is the SMILES notation for (2S,3R)-2-amino-4-[[1-[4-(1,1-dimethyl-2,3-dihydroinden-5-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3S)-2-amino-4-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3S)-2-amino-4-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,3-diol;7-[2-[4-[[2-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]pentan-1-ol?
The canonical SMILES for (2S,3R)-2-amino-4-[[1-[4-(1,1-dimethyl-2,3-dihydroinden-5-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3S)-2-amino-4-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3S)-2-amino-4-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,3-diol;7-[2-[4-[[2-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]pentan-1-ol is CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(C[C@@H](O)[C@@H](N)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(NC[C@H](O)[C@@H](N)CO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3noc(N4CCN(CCCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(O)c2cc(-c3csc(N4CCN(CC5CC5CO)CC4)n3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCC(NC[C@H](O)[C@@H](N)CO)CC4)n3)ccc21.CC1(C)CCc2cc(-c3csc(N4CCC(NC[C@@H](O)[C@@H](N)CO)CC4)n3)ccc21.
What is the InChIKey of (2S,3R)-2-amino-4-[[1-[4-(1,1-dimethyl-2,3-dihydroinden-5-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3S)-2-amino-4-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3S)-2-amino-4-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,3-diol;7-[2-[4-[[2-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]pentan-1-ol?
The InChIKey is BBBYWKKXXAACAB-LZKHAZCKSA-N. The full InChI is InChI=1S/C26H40N4O2S.C26H39N3O2S.C25H38N4O2.C25H35N3O2S.C24H36N4O2S.C23H34N4O2S/c1-25(2)9-10-26(3,4)20-13-17(5-6-19(20)25)22-16-33-24(29-22)30-11-7-18(8-12-30)28-14-23(32)21(27)15-31;1-25(2)9-10-26(3,4)20-14-18(5-6-19(20)25)22-16-32-24(28-22)29-11-7-17(8-12-29)13-23(31)21(27)15-30;1-24(2)10-11-25(3,4)21-18-19(8-9-20(21)24)22-26-23(31-27-22)29-15-13-28(14-16-29)12-6-5-7-17-30;1-24(2)6-7-25(3,30)21-13-17(4-5-20(21)24)22-16-31-23(26-22)28-10-8-27(9-11-28)14-18-12-19(18)15-29;1-24(2)9-3-4-16-12-17(5-6-19(16)24)21-15-31-23(27-21)28-10-7-18(8-11-28)26-13-22(30)20(25)14-29;1-23(2)8-5-15-11-16(3-4-18(15)23)20-14-30-22(26-20)27-9-6-17(7-10-27)25-12-21(29)19(24)13-28/h5-6,13,16,18,21,23,28,31-32H,7-12,14-15,27H2,1-4H3;5-6,14,16-17,21,23,30-31H,7-13,15,27H2,1-4H3;8-9,18,30H,5-7,10-17H2,1-4H3;4-5,13,16,18-19,29-30H,6-12,14-15H2,1-3H3;5-6,12,15,18,20,22,26,29-30H,3-4,7-11,13-14,25H2,1-2H3;3-4,11,14,17,19,21,25,28-29H,5-10,12-13,24H2,1-2H3/t21-,23-;21-,23+;;;20-,22-;19-,21+/m00..00/s1.
What are the key properties of (2S,3R)-2-amino-4-[[1-[4-(1,1-dimethyl-2,3-dihydroinden-5-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3S)-2-amino-4-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3S)-2-amino-4-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,3-diol;7-[2-[4-[[2-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]pentan-1-ol?
(2S,3R)-2-amino-4-[[1-[4-(1,1-dimethyl-2,3-dihydroinden-5-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3S)-2-amino-4-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3S)-2-amino-4-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,3-diol;7-[2-[4-[[2-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]pentan-1-ol has a molecular weight of 2673.89 g/mol, XLogP of 20.99, 39 rotatable bonds, 18 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-4-[[1-[4-(1,1-dimethyl-2,3-dihydroinden-5-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3S)-2-amino-4-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3S)-2-amino-4-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butane-1,3-diol;(2S,3R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,3-diol;7-[2-[4-[[2-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]pentan-1-ol is sourced from PubChem (CID 157293662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).