(2S)-2-amino-2-[5-[4-decoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol;[(2S)-2-amino-2-[5-[4-decoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propyl] dihydrogen phosphate;(2S)-2-amino-2-[5-[4-nonoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol;[(2S)-2-amino-2-[5-[4-nonoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propyl] dihydrogen phosphate;[2-amino-2-[5-[4-octoxy-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl] dihydrogen phosphate;(2S)-2-amino-2-[5-[3-(trifluoromethyl)-4-[5-[4-(trifluoromethyl)phenyl]pentoxy]phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol

C131H180F21N18O21P3S5 — CID 158288100

About (2S)-2-amino-2-[5-[4-decoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol;[(2S)-2-amino-2-[5-[4-decoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propyl] dihydrogen phosphate;(2S)-2-amino-2-[5-[4-nonoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol;[(2S)-2-amino-2-[5-[4-nonoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propyl] dihydrogen phosphate;[2-amino-2-[5-[4-octoxy-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl] dihydrogen phosphate;(2S)-2-amino-2-[5-[3-(trifluoromethyl)-4-[5-[4-(trifluoromethyl)phenyl]pentoxy]phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol

(2S)-2-amino-2-[5-[4-decoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol;[(2S)-2-amino-2-[5-[4-decoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propyl] dihydrogen phosphate;(2S)-2-amino-2-[5-[4-nonoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol;[(2S)-2-amino-2-[5-[4-nonoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propyl] dihydrogen phosphate;[2-amino-2-[5-[4-octoxy-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl] dihydrogen phosphate;(2S)-2-amino-2-[5-[3-(trifluoromethyl)-4-[5-[4-(trifluoromethyl)phenyl]pentoxy]phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol (PubChem CID 158288100) has the molecular formula C131H180F21N18O21P3S5 and a molecular weight of 2995.20 g/mol. Its IUPAC name is (2S)-2-amino-2-[5-[4-decoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol;[(2S)-2-amino-2-[5-[4-decoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propyl] dihydrogen phosphate;(2S)-2-amino-2-[5-[4-nonoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol;[(2S)-2-amino-2-[5-[4-nonoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propyl] dihydrogen phosphate;[2-amino-2-[5-[4-octoxy-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl] dihydrogen phosphate;(2S)-2-amino-2-[5-[3-(trifluoromethyl)-4-[5-[4-(trifluoromethyl)phenyl]pentoxy]phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol.

Molecular Properties

• Compound Name: (2S)-2-amino-2-[5-[4-decoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol;[(2S)-2-amino-2-[5-[4-decoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propyl] dihydrogen phosphate;(2S)-2-amino-2-[5-[4-nonoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol;[(2S)-2-amino-2-[5-[4-nonoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propyl] dihydrogen phosphate;[2-amino-2-[5-[4-octoxy-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl] dihydrogen phosphate;(2S)-2-amino-2-[5-[3-(trifluoromethyl)-4-[5-[4-(trifluoromethyl)phenyl]pentoxy]phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol
• PubChem CID: 158288100
• Molecular Formula: C131H180F21N18O21P3S5
• Molecular Weight: 2995.20 g/mol
• Exact Mass: 2993.11
• IUPAC Name: (2S)-2-amino-2-[5-[4-decoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol;[(2S)-2-amino-2-[5-[4-decoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propyl] dihydrogen phosphate;(2S)-2-amino-2-[5-[4-nonoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol;[(2S)-2-amino-2-[5-[4-nonoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propyl] dihydrogen phosphate;[2-amino-2-[5-[4-octoxy-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl] dihydrogen phosphate;(2S)-2-amino-2-[5-[3-(trifluoromethyl)-4-[5-[4-(trifluoromethyl)phenyl]pentoxy]phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol
• SMILES: CCCCCCCCCCOc1ccc(-c2nnc([C@@](C)(N)CO)s2)cc1C(F)(F)F.CCCCCCCCCCOc1ccc(-c2nnc([C@@](C)(N)COP(=O)(O)O)s2)cc1C(F)(F)F.CCCCCCCCCOc1ccc(-c2nnc([C@@](C)(N)CO)s2)cc1C(F)(F)F.CCCCCCCCCOc1ccc(-c2nnc([C@@](C)(N)COP(=O)(O)O)s2)cc1C(F)(F)F.CCCCCCCCOc1ccc(-c2cnc(C(N)COP(=O)(O)O)nc2)cc1C(F)(F)F.C[C@](N)(CO)c1nnc(-c2ccc(OCCCCCc3ccc(C(F)(F)F)cc3)c(C(F)(F)F)c2)s1
• InChI: InChI=1S/C24H25F6N3O2S.C22H33F3N3O5PS.C22H32F3N3O2S.C21H31F3N3O5PS.C21H29F3N3O5P.C21H30F3N3O2S/c1-22(31,14-34)21-33-32-20(36-21)16-8-11-19(18(13-16)24(28,29)30)35-12-4-2-3-5-15-6-9-17(10-7-15)23(25,26)27;1-3-4-5-6-7-8-9-10-13-32-18-12-11-16(14-17(18)22(23,24)25)19-27-28-20(35-19)21(2,26)15-33-34(29,30)31;1-3-4-5-6-7-8-9-10-13-30-18-12-11-16(14-17(18)22(23,24)25)19-27-28-20(31-19)21(2,26)15-29;1-3-4-5-6-7-8-9-12-31-17-11-10-15(13-16(17)21(22,23)24)18-26-27-19(34-18)20(2,25)14-32-33(28,29)30;1-2-3-4-5-6-7-10-31-19-9-8-15(11-17(19)21(22,23)24)16-12-26-20(27-13-16)18(25)14-32-33(28,29)30;1-3-4-5-6-7-8-9-12-29-17-11-10-15(13-16(17)21(22,23)24)18-26-27-19(30-18)20(2,25)14-28/h6-11,13,34H,2-5,12,14,31H2,1H3;11-12,14H,3-10,13,15,26H2,1-2H3,(H2,29,30,31);11-12,14,29H,3-10,13,15,26H2,1-2H3;10-11,13H,3-9,12,14,25H2,1-2H3,(H2,28,29,30);8-9,11-13,18H,2-7,10,14,25H2,1H3,(H2,28,29,30);10-11,13,28H,3-9,12,14,25H2,1-2H3/t22-;2*21-;20-;;20-/m0000.0/s1
• InChIKey: GLAKSZKIDAOEJR-IISKBNMKSA-N
• XLogP: 34.30
• TPSA: 627.15 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 38
• Rotatable Bonds: 77
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2995.20
LogP ≤ 5	34.30
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[5-[4-decoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol;[(2S)-2-amino-2-[5-[4-decoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propyl] dihydrogen phosphate;(2S)-2-amino-2-[5-[4-nonoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol;[(2S)-2-amino-2-[5-[4-nonoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propyl] dihydrogen phosphate;[2-amino-2-[5-[4-octoxy-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl] dihydrogen phosphate;(2S)-2-amino-2-[5-[3-(trifluoromethyl)-4-[5-[4-(trifluoromethyl)phenyl]pentoxy]phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol?

The IUPAC name of (2S)-2-amino-2-[5-[4-decoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol;[(2S)-2-amino-2-[5-[4-decoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propyl] dihydrogen phosphate;(2S)-2-amino-2-[5-[4-nonoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol;[(2S)-2-amino-2-[5-[4-nonoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propyl] dihydrogen phosphate;[2-amino-2-[5-[4-octoxy-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl] dihydrogen phosphate;(2S)-2-amino-2-[5-[3-(trifluoromethyl)-4-[5-[4-(trifluoromethyl)phenyl]pentoxy]phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol (CID 158288100) is (2S)-2-amino-2-[5-[4-decoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol;[(2S)-2-amino-2-[5-[4-decoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propyl] dihydrogen phosphate;(2S)-2-amino-2-[5-[4-nonoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol;[(2S)-2-amino-2-[5-[4-nonoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propyl] dihydrogen phosphate;[2-amino-2-[5-[4-octoxy-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl] dihydrogen phosphate;(2S)-2-amino-2-[5-[3-(trifluoromethyl)-4-[5-[4-(trifluoromethyl)phenyl]pentoxy]phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol.

What is the SMILES notation for (2S)-2-amino-2-[5-[4-decoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol;[(2S)-2-amino-2-[5-[4-decoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propyl] dihydrogen phosphate;(2S)-2-amino-2-[5-[4-nonoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol;[(2S)-2-amino-2-[5-[4-nonoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propyl] dihydrogen phosphate;[2-amino-2-[5-[4-octoxy-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl] dihydrogen phosphate;(2S)-2-amino-2-[5-[3-(trifluoromethyl)-4-[5-[4-(trifluoromethyl)phenyl]pentoxy]phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol?

The canonical SMILES for (2S)-2-amino-2-[5-[4-decoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol;[(2S)-2-amino-2-[5-[4-decoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propyl] dihydrogen phosphate;(2S)-2-amino-2-[5-[4-nonoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol;[(2S)-2-amino-2-[5-[4-nonoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propyl] dihydrogen phosphate;[2-amino-2-[5-[4-octoxy-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl] dihydrogen phosphate;(2S)-2-amino-2-[5-[3-(trifluoromethyl)-4-[5-[4-(trifluoromethyl)phenyl]pentoxy]phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol is CCCCCCCCCCOc1ccc(-c2nnc([C@@](C)(N)CO)s2)cc1C(F)(F)F.CCCCCCCCCCOc1ccc(-c2nnc([C@@](C)(N)COP(=O)(O)O)s2)cc1C(F)(F)F.CCCCCCCCCOc1ccc(-c2nnc([C@@](C)(N)CO)s2)cc1C(F)(F)F.CCCCCCCCCOc1ccc(-c2nnc([C@@](C)(N)COP(=O)(O)O)s2)cc1C(F)(F)F.CCCCCCCCOc1ccc(-c2cnc(C(N)COP(=O)(O)O)nc2)cc1C(F)(F)F.C[C@](N)(CO)c1nnc(-c2ccc(OCCCCCc3ccc(C(F)(F)F)cc3)c(C(F)(F)F)c2)s1.

What is the InChIKey of (2S)-2-amino-2-[5-[4-decoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol;[(2S)-2-amino-2-[5-[4-decoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propyl] dihydrogen phosphate;(2S)-2-amino-2-[5-[4-nonoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol;[(2S)-2-amino-2-[5-[4-nonoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propyl] dihydrogen phosphate;[2-amino-2-[5-[4-octoxy-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl] dihydrogen phosphate;(2S)-2-amino-2-[5-[3-(trifluoromethyl)-4-[5-[4-(trifluoromethyl)phenyl]pentoxy]phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol?

The InChIKey is GLAKSZKIDAOEJR-IISKBNMKSA-N. The full InChI is InChI=1S/C24H25F6N3O2S.C22H33F3N3O5PS.C22H32F3N3O2S.C21H31F3N3O5PS.C21H29F3N3O5P.C21H30F3N3O2S/c1-22(31,14-34)21-33-32-20(36-21)16-8-11-19(18(13-16)24(28,29)30)35-12-4-2-3-5-15-6-9-17(10-7-15)23(25,26)27;1-3-4-5-6-7-8-9-10-13-32-18-12-11-16(14-17(18)22(23,24)25)19-27-28-20(35-19)21(2,26)15-33-34(29,30)31;1-3-4-5-6-7-8-9-10-13-30-18-12-11-16(14-17(18)22(23,24)25)19-27-28-20(31-19)21(2,26)15-29;1-3-4-5-6-7-8-9-12-31-17-11-10-15(13-16(17)21(22,23)24)18-26-27-19(34-18)20(2,25)14-32-33(28,29)30;1-2-3-4-5-6-7-10-31-19-9-8-15(11-17(19)21(22,23)24)16-12-26-20(27-13-16)18(25)14-32-33(28,29)30;1-3-4-5-6-7-8-9-12-29-17-11-10-15(13-16(17)21(22,23)24)18-26-27-19(30-18)20(2,25)14-28/h6-11,13,34H,2-5,12,14,31H2,1H3;11-12,14H,3-10,13,15,26H2,1-2H3,(H2,29,30,31);11-12,14,29H,3-10,13,15,26H2,1-2H3;10-11,13H,3-9,12,14,25H2,1-2H3,(H2,28,29,30);8-9,11-13,18H,2-7,10,14,25H2,1H3,(H2,28,29,30);10-11,13,28H,3-9,12,14,25H2,1-2H3/t22-;2*21-;20-;;20-/m0000.0/s1.

What are the key properties of (2S)-2-amino-2-[5-[4-decoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol;[(2S)-2-amino-2-[5-[4-decoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propyl] dihydrogen phosphate;(2S)-2-amino-2-[5-[4-nonoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol;[(2S)-2-amino-2-[5-[4-nonoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propyl] dihydrogen phosphate;[2-amino-2-[5-[4-octoxy-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl] dihydrogen phosphate;(2S)-2-amino-2-[5-[3-(trifluoromethyl)-4-[5-[4-(trifluoromethyl)phenyl]pentoxy]phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol?

(2S)-2-amino-2-[5-[4-decoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol;[(2S)-2-amino-2-[5-[4-decoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propyl] dihydrogen phosphate;(2S)-2-amino-2-[5-[4-nonoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol;[(2S)-2-amino-2-[5-[4-nonoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propyl] dihydrogen phosphate;[2-amino-2-[5-[4-octoxy-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl] dihydrogen phosphate;(2S)-2-amino-2-[5-[3-(trifluoromethyl)-4-[5-[4-(trifluoromethyl)phenyl]pentoxy]phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol has a molecular weight of 2995.20 g/mol, XLogP of 34.30, 77 rotatable bonds, 15 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-2-[5-[4-decoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol;[(2S)-2-amino-2-[5-[4-decoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propyl] dihydrogen phosphate;(2S)-2-amino-2-[5-[4-nonoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol;[(2S)-2-amino-2-[5-[4-nonoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propyl] dihydrogen phosphate;[2-amino-2-[5-[4-octoxy-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl] dihydrogen phosphate;(2S)-2-amino-2-[5-[3-(trifluoromethyl)-4-[5-[4-(trifluoromethyl)phenyl]pentoxy]phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol is sourced from PubChem (CID 158288100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).