5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-4-methylphenyl)methoxy]pyridin-2-amine;bis(5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butylphenyl)methoxy]pyridin-2-amine);5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[1-(2,3-ditert-butyl-4-pyridinyl)ethoxy]pyridin-2-amine

C167H241N21O5S5 — CID 167545496

About 5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-4-methylphenyl)methoxy]pyridin-2-amine;bis(5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butylphenyl)methoxy]pyridin-2-amine);5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[1-(2,3-ditert-butyl-4-pyridinyl)ethoxy]pyridin-2-amine

5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-4-methylphenyl)methoxy]pyridin-2-amine;bis(5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butylphenyl)methoxy]pyridin-2-amine);5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[1-(2,3-ditert-butyl-4-pyridinyl)ethoxy]pyridin-2-amine (PubChem CID 167545496) has the molecular formula C167H241N21O5S5 and a molecular weight of 2783.24 g/mol. Its IUPAC name is 5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-4-methylphenyl)methoxy]pyridin-2-amine;bis(5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butylphenyl)methoxy]pyridin-2-amine);5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[1-(2,3-ditert-butyl-4-pyridinyl)ethoxy]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-4-methylphenyl)methoxy]pyridin-2-amine;bis(5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butylphenyl)methoxy]pyridin-2-amine);5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[1-(2,3-ditert-butyl-4-pyridinyl)ethoxy]pyridin-2-amine
• PubChem CID: 167545496
• Molecular Formula: C167H241N21O5S5
• Molecular Weight: 2783.24 g/mol
• Exact Mass: 2780.79
• IUPAC Name: 5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-4-methylphenyl)methoxy]pyridin-2-amine;bis(5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butylphenyl)methoxy]pyridin-2-amine);5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[1-(2,3-ditert-butyl-4-pyridinyl)ethoxy]pyridin-2-amine
• SMILES: CC(C)(C)C#Cc1cc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c(C(C)(C)C)c(C(C)(C)C)c1.CC(C)(C)c1cccc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c1C(C)(C)C.CC(C)(C)c1cccc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c1C(C)(C)C.CC(Oc1cc(-c2cnc(C3CCN(C(C)(C)C)CC3)s2)cnc1N)c1ccnc(C(C)(C)C)c1C(C)(C)C.Cc1ccc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c(C(C)(C)C)c1C(C)(C)C
• InChI: InChI=1S/C38H54N4OS.C33H48N4OS.C32H47N5OS.2C32H46N4OS/c1-35(2,3)16-13-25-19-28(32(37(7,8)9)29(20-25)36(4,5)6)24-43-30-21-27(22-40-33(30)39)31-23-41-34(44-31)26-14-17-42(18-15-26)38(10,11)12;1-21-11-12-23(28(32(5,6)7)27(21)31(2,3)4)20-38-25-17-24(18-35-29(25)34)26-19-36-30(39-26)22-13-15-37(16-14-22)33(8,9)10;1-20(23-11-14-34-27(31(5,6)7)26(23)30(2,3)4)38-24-17-22(18-35-28(24)33)25-19-36-29(39-25)21-12-15-37(16-13-21)32(8,9)10;2*1-30(2,3)24-12-10-11-22(27(24)31(4,5)6)20-37-25-17-23(18-34-28(25)33)26-19-35-29(38-26)21-13-15-36(16-14-21)32(7,8)9/h19-23,26H,14-15,17-18,24H2,1-12H3,(H2,39,40);11-12,17-19,22H,13-16,20H2,1-10H3,(H2,34,35);11,14,17-21H,12-13,15-16H2,1-10H3,(H2,33,35);2*10-12,17-19,21H,13-16,20H2,1-9H3,(H2,33,34)
• InChIKey: BSULXUMXYIBBTD-UHFFFAOYSA-N
• XLogP: 41.36
• TPSA: 334.24 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 25
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2783.24
LogP ≤ 5	41.36
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-4-methylphenyl)methoxy]pyridin-2-amine;bis(5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butylphenyl)methoxy]pyridin-2-amine);5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[1-(2,3-ditert-butyl-4-pyridinyl)ethoxy]pyridin-2-amine?

The IUPAC name of 5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-4-methylphenyl)methoxy]pyridin-2-amine;bis(5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butylphenyl)methoxy]pyridin-2-amine);5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[1-(2,3-ditert-butyl-4-pyridinyl)ethoxy]pyridin-2-amine (CID 167545496) is 5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-4-methylphenyl)methoxy]pyridin-2-amine;bis(5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butylphenyl)methoxy]pyridin-2-amine);5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[1-(2,3-ditert-butyl-4-pyridinyl)ethoxy]pyridin-2-amine.

What is the SMILES notation for 5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-4-methylphenyl)methoxy]pyridin-2-amine;bis(5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butylphenyl)methoxy]pyridin-2-amine);5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[1-(2,3-ditert-butyl-4-pyridinyl)ethoxy]pyridin-2-amine?

The canonical SMILES for 5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-4-methylphenyl)methoxy]pyridin-2-amine;bis(5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butylphenyl)methoxy]pyridin-2-amine);5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[1-(2,3-ditert-butyl-4-pyridinyl)ethoxy]pyridin-2-amine is CC(C)(C)C#Cc1cc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c(C(C)(C)C)c(C(C)(C)C)c1.CC(C)(C)c1cccc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c1C(C)(C)C.CC(C)(C)c1cccc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c1C(C)(C)C.CC(Oc1cc(-c2cnc(C3CCN(C(C)(C)C)CC3)s2)cnc1N)c1ccnc(C(C)(C)C)c1C(C)(C)C.Cc1ccc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c(C(C)(C)C)c1C(C)(C)C.

What is the InChIKey of 5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-4-methylphenyl)methoxy]pyridin-2-amine;bis(5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butylphenyl)methoxy]pyridin-2-amine);5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[1-(2,3-ditert-butyl-4-pyridinyl)ethoxy]pyridin-2-amine?

The InChIKey is BSULXUMXYIBBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H54N4OS.C33H48N4OS.C32H47N5OS.2C32H46N4OS/c1-35(2,3)16-13-25-19-28(32(37(7,8)9)29(20-25)36(4,5)6)24-43-30-21-27(22-40-33(30)39)31-23-41-34(44-31)26-14-17-42(18-15-26)38(10,11)12;1-21-11-12-23(28(32(5,6)7)27(21)31(2,3)4)20-38-25-17-24(18-35-29(25)34)26-19-36-30(39-26)22-13-15-37(16-14-22)33(8,9)10;1-20(23-11-14-34-27(31(5,6)7)26(23)30(2,3)4)38-24-17-22(18-35-28(24)33)25-19-36-29(39-25)21-12-15-37(16-13-21)32(8,9)10;2*1-30(2,3)24-12-10-11-22(27(24)31(4,5)6)20-37-25-17-23(18-34-28(25)33)26-19-35-29(38-26)21-13-15-36(16-14-21)32(7,8)9/h19-23,26H,14-15,17-18,24H2,1-12H3,(H2,39,40);11-12,17-19,22H,13-16,20H2,1-10H3,(H2,34,35);11,14,17-21H,12-13,15-16H2,1-10H3,(H2,33,35);2*10-12,17-19,21H,13-16,20H2,1-9H3,(H2,33,34).

What are the key properties of 5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-4-methylphenyl)methoxy]pyridin-2-amine;bis(5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butylphenyl)methoxy]pyridin-2-amine);5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[1-(2,3-ditert-butyl-4-pyridinyl)ethoxy]pyridin-2-amine?

5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-4-methylphenyl)methoxy]pyridin-2-amine;bis(5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butylphenyl)methoxy]pyridin-2-amine);5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[1-(2,3-ditert-butyl-4-pyridinyl)ethoxy]pyridin-2-amine has a molecular weight of 2783.24 g/mol, XLogP of 41.36, 25 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-4-methylphenyl)methoxy]pyridin-2-amine;bis(5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butylphenyl)methoxy]pyridin-2-amine);5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[1-(2,3-ditert-butyl-4-pyridinyl)ethoxy]pyridin-2-amine is sourced from PubChem (CID 167545496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).