5-[4-[1-[(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-5-[4-[1-[[5-(1,2-thiazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-thiazole

C48H60BBrN12O6S4 — CID 158971163

About 5-[4-[1-[(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-5-[4-[1-[[5-(1,2-thiazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-thiazole

5-[4-[1-[(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-5-[4-[1-[[5-(1,2-thiazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-thiazole (PubChem CID 158971163) has the molecular formula C48H60BBrN12O6S4 and a molecular weight of 1120.07 g/mol. Its IUPAC name is 5-[4-[1-[(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-5-[4-[1-[[5-(1,2-thiazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-thiazole.

Molecular Properties

• Compound Name: 5-[4-[1-[(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-5-[4-[1-[[5-(1,2-thiazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-thiazole
• PubChem CID: 158971163
• Molecular Formula: C48H60BBrN12O6S4
• Molecular Weight: 1120.07 g/mol
• Exact Mass: 1118.29
• IUPAC Name: 5-[4-[1-[(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-5-[4-[1-[[5-(1,2-thiazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-thiazole
• SMILES: CC(C)c1noc(N2CCC(C(C)Oc3nc4ccc(-c5cnsc5)nc4s3)CC2)n1.CC(C)c1noc(N2CCC(C(C)Oc3nc4ccc(Br)nc4s3)CC2)n1.CC1(C)OB(c2cnsc2)OC1(C)C
• InChI: InChI=1S/C21H24N6O2S2.C18H22BrN5O2S.C9H14BNO2S/c1-12(2)18-25-20(29-26-18)27-8-6-14(7-9-27)13(3)28-21-24-17-5-4-16(23-19(17)31-21)15-10-22-30-11-15;1-10(2)15-22-17(26-23-15)24-8-6-12(7-9-24)11(3)25-18-20-13-4-5-14(19)21-16(13)27-18;1-8(2)9(3,4)13-10(12-8)7-5-11-14-6-7/h4-5,10-14H,6-9H2,1-3H3;4-5,10-12H,6-9H2,1-3H3;5-6H,1-4H3
• InChIKey: JNVKNPMQKCFOQG-UHFFFAOYSA-N
• XLogP: 11.09
• TPSA: 198.58 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1120.07
LogP ≤ 5	11.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-[(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-5-[4-[1-[[5-(1,2-thiazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-thiazole?

The IUPAC name of 5-[4-[1-[(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-5-[4-[1-[[5-(1,2-thiazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-thiazole (CID 158971163) is 5-[4-[1-[(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-5-[4-[1-[[5-(1,2-thiazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-thiazole.

What is the SMILES notation for 5-[4-[1-[(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-5-[4-[1-[[5-(1,2-thiazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-thiazole?

The canonical SMILES for 5-[4-[1-[(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-5-[4-[1-[[5-(1,2-thiazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-thiazole is CC(C)c1noc(N2CCC(C(C)Oc3nc4ccc(-c5cnsc5)nc4s3)CC2)n1.CC(C)c1noc(N2CCC(C(C)Oc3nc4ccc(Br)nc4s3)CC2)n1.CC1(C)OB(c2cnsc2)OC1(C)C.

What is the InChIKey of 5-[4-[1-[(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-5-[4-[1-[[5-(1,2-thiazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-thiazole?

The InChIKey is JNVKNPMQKCFOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2S2.C18H22BrN5O2S.C9H14BNO2S/c1-12(2)18-25-20(29-26-18)27-8-6-14(7-9-27)13(3)28-21-24-17-5-4-16(23-19(17)31-21)15-10-22-30-11-15;1-10(2)15-22-17(26-23-15)24-8-6-12(7-9-24)11(3)25-18-20-13-4-5-14(19)21-16(13)27-18;1-8(2)9(3,4)13-10(12-8)7-5-11-14-6-7/h4-5,10-14H,6-9H2,1-3H3;4-5,10-12H,6-9H2,1-3H3;5-6H,1-4H3.

What are the key properties of 5-[4-[1-[(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-5-[4-[1-[[5-(1,2-thiazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-thiazole?

5-[4-[1-[(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-5-[4-[1-[[5-(1,2-thiazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-thiazole has a molecular weight of 1120.07 g/mol, XLogP of 11.09, 12 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[1-[(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-5-[4-[1-[[5-(1,2-thiazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-thiazole is sourced from PubChem (CID 158971163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).