(2S,3S)-2-amino-5-[4-[4-(1,1-dimethyl-2,3-dihydroinden-5-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentane-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]butane-1,3-diol;5-[4-[4-(8,8-dideuterio-5,5-dimethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-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;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazol-5-yl]piperazin-1-yl]pentan-1-ol
C148H221N21O11S4 — CID 159850410
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC(2S,3S)-2-amino-5-[4-[4-(1,1-dimethyl-2,3-dihydroinden-5-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentane-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]butane-1,3-diol;5-[4-[4-(8,8-dideuterio-5,5-dimethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-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;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazol-5-yl]piperazin-1-yl]pentan-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(-c3cc(N4CCN(CCCCCO)CC4)on3)ccc21.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(-c3noc(N4CCN(CCCCCO)CC4)n3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCC(NC[C@H](O)[C@@H](N)CO)CC4)n3)ccc21.CC1(C)CCc2cc(-c3csc(N4CCN(CC[C@H](O)[C@@H](N)CO)CC4)n3)ccc21.[2H]C1([2H])CCC(C)(C)c2ccc(-c3csc(N4CCN(CCCCCO)CC4)n3)cc21
InChIInChI=1S/C26H39N3O2S.C26H39N3O2.C25H38N4O2.C24H36N4O2S.C24H35N3OS.C23H34N4O2S/c1-25(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;1-25(2)10-11-26(3,4)22-18-20(8-9-21(22)25)23-19-24(31-27-23)29-15-13-28(14-16-29)12-6-5-7-17-30;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)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;1-24(2)10-6-7-19-17-20(8-9-21(19)24)22-18-29-23(25-22)27-14-12-26(13-15-27)11-4-3-5-16-28;1-23(2)7-5-16-13-17(3-4-18(16)23)20-15-30-22(25-20)27-11-9-26(10-12-27)8-6-21(29)19(24)14-28/h5-6,14,16-17,21,23,30-31H,7-13,15,27H2,1-4H3;8-9,18-19,30H,5-7,10-17H2,1-4H3;8-9,18,30H,5-7,10-17H2,1-4H3;5-6,12,15,18,20,22,26,29-30H,3-4,7-11,13-14,25H2,1-2H3;8-9,17-18,28H,3-7,10-16H2,1-2H3;3-4,13,15,19,21,28-29H,5-12,14,24H2,1-2H3/t21-,23-;;;20-,22-;;19-,21-/m0..0.0/s1/i;;;;7D2;
InChIKeyNPVZHLOOJZLZMF-DEHGVSFISA-N
MW2600.81 g/mol
LogP23.39
Rot. Bonds41
About (2S,3S)-2-amino-5-[4-[4-(1,1-dimethyl-2,3-dihydroinden-5-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentane-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]butane-1,3-diol;5-[4-[4-(8,8-dideuterio-5,5-dimethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-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;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazol-5-yl]piperazin-1-yl]pentan-1-ol
(2S,3S)-2-amino-5-[4-[4-(1,1-dimethyl-2,3-dihydroinden-5-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentane-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]butane-1,3-diol;5-[4-[4-(8,8-dideuterio-5,5-dimethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-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;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazol-5-yl]piperazin-1-yl]pentan-1-ol (PubChem CID 159850410) has the molecular formula C148H221N21O11S4 and a molecular weight of 2600.81 g/mol. Its IUPAC name is (2S,3S)-2-amino-5-[4-[4-(1,1-dimethyl-2,3-dihydroinden-5-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentane-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]butane-1,3-diol;5-[4-[4-(8,8-dideuterio-5,5-dimethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-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;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazol-5-yl]piperazin-1-yl]pentan-1-ol.
Molecular Properties
| Compound Name | (2S,3S)-2-amino-5-[4-[4-(1,1-dimethyl-2,3-dihydroinden-5-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentane-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]butane-1,3-diol;5-[4-[4-(8,8-dideuterio-5,5-dimethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-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;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazol-5-yl]piperazin-1-yl]pentan-1-ol |
|---|---|
| PubChem CID | 159850410 |
| Molecular Formula | C148H221N21O11S4 |
| Molecular Weight | 2600.81 g/mol |
| Exact Mass | 2598.64 |
| IUPAC Name | (2S,3S)-2-amino-5-[4-[4-(1,1-dimethyl-2,3-dihydroinden-5-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentane-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]butane-1,3-diol;5-[4-[4-(8,8-dideuterio-5,5-dimethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-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;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazol-5-yl]piperazin-1-yl]pentan-1-ol |
| SMILES | CC1(C)CCC(C)(C)c2cc(-c3cc(N4CCN(CCCCCO)CC4)on3)ccc21.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(-c3noc(N4CCN(CCCCCO)CC4)n3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCC(NC[C@H](O)[C@@H](N)CO)CC4)n3)ccc21.CC1(C)CCc2cc(-c3csc(N4CCN(CC[C@H](O)[C@@H](N)CO)CC4)n3)ccc21.[2H]C1([2H])CCC(C)(C)c2ccc(-c3csc(N4CCN(CCCCCO)CC4)n3)cc21 |
| InChI | InChI=1S/C26H39N3O2S.C26H39N3O2.C25H38N4O2.C24H36N4O2S.C24H35N3OS.C23H34N4O2S/c1-25(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;1-25(2)10-11-26(3,4)22-18-20(8-9-21(22)25)23-19-24(31-27-23)29-15-13-28(14-16-29)12-6-5-7-17-30;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)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;1-24(2)10-6-7-19-17-20(8-9-21(19)24)22-18-29-23(25-22)27-14-12-26(13-15-27)11-4-3-5-16-28;1-23(2)7-5-16-13-17(3-4-18(16)23)20-15-30-22(25-20)27-11-9-26(10-12-27)8-6-21(29)19(24)14-28/h5-6,14,16-17,21,23,30-31H,7-13,15,27H2,1-4H3;8-9,18-19,30H,5-7,10-17H2,1-4H3;8-9,18,30H,5-7,10-17H2,1-4H3;5-6,12,15,18,20,22,26,29-30H,3-4,7-11,13-14,25H2,1-2H3;8-9,17-18,28H,3-7,10-16H2,1-2H3;3-4,13,15,19,21,28-29H,5-12,14,24H2,1-2H3/t21-,23-;;;20-,22-;;19-,21-/m0..0.0/s1/i;;;;7D2; |
| InChIKey | NPVZHLOOJZLZMF-DEHGVSFISA-N |
| XLogP | 23.39 |
| TPSA | 421.07 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 184 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2600.81 |
| LogP ≤ 5 | 23.39 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 36 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of (2S,3S)-2-amino-5-[4-[4-(1,1-dimethyl-2,3-dihydroinden-5-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentane-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]butane-1,3-diol;5-[4-[4-(8,8-dideuterio-5,5-dimethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-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;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazol-5-yl]piperazin-1-yl]pentan-1-ol?
The IUPAC name of (2S,3S)-2-amino-5-[4-[4-(1,1-dimethyl-2,3-dihydroinden-5-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentane-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]butane-1,3-diol;5-[4-[4-(8,8-dideuterio-5,5-dimethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-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;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazol-5-yl]piperazin-1-yl]pentan-1-ol (CID 159850410) is (2S,3S)-2-amino-5-[4-[4-(1,1-dimethyl-2,3-dihydroinden-5-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentane-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]butane-1,3-diol;5-[4-[4-(8,8-dideuterio-5,5-dimethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-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;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazol-5-yl]piperazin-1-yl]pentan-1-ol.
What is the SMILES notation for (2S,3S)-2-amino-5-[4-[4-(1,1-dimethyl-2,3-dihydroinden-5-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentane-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]butane-1,3-diol;5-[4-[4-(8,8-dideuterio-5,5-dimethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-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;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazol-5-yl]piperazin-1-yl]pentan-1-ol?
The canonical SMILES for (2S,3S)-2-amino-5-[4-[4-(1,1-dimethyl-2,3-dihydroinden-5-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentane-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]butane-1,3-diol;5-[4-[4-(8,8-dideuterio-5,5-dimethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-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;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazol-5-yl]piperazin-1-yl]pentan-1-ol is CC1(C)CCC(C)(C)c2cc(-c3cc(N4CCN(CCCCCO)CC4)on3)ccc21.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(-c3noc(N4CCN(CCCCCO)CC4)n3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCC(NC[C@H](O)[C@@H](N)CO)CC4)n3)ccc21.CC1(C)CCc2cc(-c3csc(N4CCN(CC[C@H](O)[C@@H](N)CO)CC4)n3)ccc21.[2H]C1([2H])CCC(C)(C)c2ccc(-c3csc(N4CCN(CCCCCO)CC4)n3)cc21.
What is the InChIKey of (2S,3S)-2-amino-5-[4-[4-(1,1-dimethyl-2,3-dihydroinden-5-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentane-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]butane-1,3-diol;5-[4-[4-(8,8-dideuterio-5,5-dimethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-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;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazol-5-yl]piperazin-1-yl]pentan-1-ol?
The InChIKey is NPVZHLOOJZLZMF-DEHGVSFISA-N. The full InChI is InChI=1S/C26H39N3O2S.C26H39N3O2.C25H38N4O2.C24H36N4O2S.C24H35N3OS.C23H34N4O2S/c1-25(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;1-25(2)10-11-26(3,4)22-18-20(8-9-21(22)25)23-19-24(31-27-23)29-15-13-28(14-16-29)12-6-5-7-17-30;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)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;1-24(2)10-6-7-19-17-20(8-9-21(19)24)22-18-29-23(25-22)27-14-12-26(13-15-27)11-4-3-5-16-28;1-23(2)7-5-16-13-17(3-4-18(16)23)20-15-30-22(25-20)27-11-9-26(10-12-27)8-6-21(29)19(24)14-28/h5-6,14,16-17,21,23,30-31H,7-13,15,27H2,1-4H3;8-9,18-19,30H,5-7,10-17H2,1-4H3;8-9,18,30H,5-7,10-17H2,1-4H3;5-6,12,15,18,20,22,26,29-30H,3-4,7-11,13-14,25H2,1-2H3;8-9,17-18,28H,3-7,10-16H2,1-2H3;3-4,13,15,19,21,28-29H,5-12,14,24H2,1-2H3/t21-,23-;;;20-,22-;;19-,21-/m0..0.0/s1/i;;;;7D2;.
What are the key properties of (2S,3S)-2-amino-5-[4-[4-(1,1-dimethyl-2,3-dihydroinden-5-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentane-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]butane-1,3-diol;5-[4-[4-(8,8-dideuterio-5,5-dimethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-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;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazol-5-yl]piperazin-1-yl]pentan-1-ol?
(2S,3S)-2-amino-5-[4-[4-(1,1-dimethyl-2,3-dihydroinden-5-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentane-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]butane-1,3-diol;5-[4-[4-(8,8-dideuterio-5,5-dimethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-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;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazol-5-yl]piperazin-1-yl]pentan-1-ol has a molecular weight of 2600.81 g/mol, XLogP of 23.39, 41 rotatable bonds, 13 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-5-[4-[4-(1,1-dimethyl-2,3-dihydroinden-5-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentane-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]butane-1,3-diol;5-[4-[4-(8,8-dideuterio-5,5-dimethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]pentan-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;5-[4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazol-5-yl]piperazin-1-yl]pentan-1-ol is sourced from PubChem (CID 159850410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159850410 — identifiers, structure, computed properties (public domain)
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