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;butyl-(5-methylsulfanyl-2-pyridinyl)tin;5-[4-[1-[[5-(5-methylsulfanyl-2-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;octane

C60H83BrN12O4S4Sn — CID 157474786

IUPAC5-[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;butyl-(5-methylsulfanyl-2-pyridinyl)tin;5-[4-[1-[[5-(5-methylsulfanyl-2-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;octane
SMILESCC(C)c1noc(N2CCC(C(C)Oc3nc4ccc(Br)nc4s3)CC2)n1.CCCCCCCC.CCCC[Sn]c1ccc(SC)cn1.CSc1ccc(-c2ccc3nc(OC(C)C4CCN(c5nc(C(C)C)no5)CC4)sc3n2)nc1
InChIInChI=1S/C24H28N6O2S2.C18H22BrN5O2S.C8H18.C6H6NS.C4H9.Sn/c1-14(2)21-28-23(32-29-21)30-11-9-16(10-12-30)15(3)31-24-27-20-8-7-19(26-22(20)34-24)18-6-5-17(33-4)13-25-18;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;1-3-5-7-8-6-4-2;1-8-6-3-2-4-7-5-6;1-3-4-2;/h5-8,13-16H,9-12H2,1-4H3;4-5,10-12H,6-9H2,1-3H3;3-8H2,1-2H3;2-3,5H,1H3;1,3-4H2,2H3;
InChIKeyBVLRQDZXDVWRGG-UHFFFAOYSA-N
MW1363.29 g/mol
LogP16.03
Rot. Bonds22

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;butyl-(5-methylsulfanyl-2-pyridinyl)tin;5-[4-[1-[[5-(5-methylsulfanyl-2-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;octane

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;butyl-(5-methylsulfanyl-2-pyridinyl)tin;5-[4-[1-[[5-(5-methylsulfanyl-2-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;octane (PubChem CID 157474786) has the molecular formula C60H83BrN12O4S4Sn and a molecular weight of 1363.29 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;butyl-(5-methylsulfanyl-2-pyridinyl)tin;5-[4-[1-[[5-(5-methylsulfanyl-2-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;octane.

Molecular Properties

Compound Name5-[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;butyl-(5-methylsulfanyl-2-pyridinyl)tin;5-[4-[1-[[5-(5-methylsulfanyl-2-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;octane
PubChem CID157474786
Molecular FormulaC60H83BrN12O4S4Sn
Molecular Weight1363.29 g/mol
Exact Mass1362.37
IUPAC Name5-[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;butyl-(5-methylsulfanyl-2-pyridinyl)tin;5-[4-[1-[[5-(5-methylsulfanyl-2-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;octane
SMILESCC(C)c1noc(N2CCC(C(C)Oc3nc4ccc(Br)nc4s3)CC2)n1.CCCCCCCC.CCCC[Sn]c1ccc(SC)cn1.CSc1ccc(-c2ccc3nc(OC(C)C4CCN(c5nc(C(C)C)no5)CC4)sc3n2)nc1
InChIInChI=1S/C24H28N6O2S2.C18H22BrN5O2S.C8H18.C6H6NS.C4H9.Sn/c1-14(2)21-28-23(32-29-21)30-11-9-16(10-12-30)15(3)31-24-27-20-8-7-19(26-22(20)34-24)18-6-5-17(33-4)13-25-18;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;1-3-5-7-8-6-4-2;1-8-6-3-2-4-7-5-6;1-3-4-2;/h5-8,13-16H,9-12H2,1-4H3;4-5,10-12H,6-9H2,1-3H3;3-8H2,1-2H3;2-3,5H,1H3;1,3-4H2,2H3;
InChIKeyBVLRQDZXDVWRGG-UHFFFAOYSA-N
XLogP16.03
TPSA180.12 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds22
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001363.29
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 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;butyl-(5-methylsulfanyl-2-pyridinyl)tin;5-[4-[1-[[5-(5-methylsulfanyl-2-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-[(1S)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine;5-(6-methylsulfanyl-3-pyridinyl)-2-[(1S)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine;2-methylsulfanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 157241264
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;5-[4-[1-[[5-(6-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;[6-(trifluoromethyl)-3-pyridinyl]boronic acid
CID 159634828
5-[4-[1-[(5-Bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-3-(trifluoromethyl)-1,2,4-oxadiazole;5-[4-[1-[[5-(6-methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-(trifluoromethyl)-1,2,4-oxadiazole;2-methylsulfanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 159861936
5-[4-[1-[[5-(6-Methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-(trifluoromethyl)-1,2,4-oxadiazole;5-[4-[1-[[5-(6-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 160488927
5-[4-[1-[[5-(5-Methylsulfonyl-2-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131985117
3-Propan-2-yl-5-[4-[1-[[5-(1,3-thiazol-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole
CID 131985139
3-Propan-2-yl-5-[4-[1-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole
CID 131985163
3-propan-2-yl-5-[4-[(1R)-1-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole
CID 131985165
5-[4-[1-[[5-(2-Methyl-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131985192
5-[4-[1-[[5-(5-Methylsulfanylpyrazin-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131985231
5-[4-[1-[[5-(5-Methylsulfanyl-2-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131985241
3-propan-2-yl-5-[4-[(1S)-1-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole
CID 131985336

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;butyl-(5-methylsulfanyl-2-pyridinyl)tin;5-[4-[1-[[5-(5-methylsulfanyl-2-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;octane?
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;butyl-(5-methylsulfanyl-2-pyridinyl)tin;5-[4-[1-[[5-(5-methylsulfanyl-2-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;octane (CID 157474786) 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;butyl-(5-methylsulfanyl-2-pyridinyl)tin;5-[4-[1-[[5-(5-methylsulfanyl-2-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;octane.
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;butyl-(5-methylsulfanyl-2-pyridinyl)tin;5-[4-[1-[[5-(5-methylsulfanyl-2-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;octane?
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;butyl-(5-methylsulfanyl-2-pyridinyl)tin;5-[4-[1-[[5-(5-methylsulfanyl-2-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;octane is CC(C)c1noc(N2CCC(C(C)Oc3nc4ccc(Br)nc4s3)CC2)n1.CCCCCCCC.CCCC[Sn]c1ccc(SC)cn1.CSc1ccc(-c2ccc3nc(OC(C)C4CCN(c5nc(C(C)C)no5)CC4)sc3n2)nc1.
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;butyl-(5-methylsulfanyl-2-pyridinyl)tin;5-[4-[1-[[5-(5-methylsulfanyl-2-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;octane?
The InChIKey is BVLRQDZXDVWRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2S2.C18H22BrN5O2S.C8H18.C6H6NS.C4H9.Sn/c1-14(2)21-28-23(32-29-21)30-11-9-16(10-12-30)15(3)31-24-27-20-8-7-19(26-22(20)34-24)18-6-5-17(33-4)13-25-18;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;1-3-5-7-8-6-4-2;1-8-6-3-2-4-7-5-6;1-3-4-2;/h5-8,13-16H,9-12H2,1-4H3;4-5,10-12H,6-9H2,1-3H3;3-8H2,1-2H3;2-3,5H,1H3;1,3-4H2,2H3;.
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;butyl-(5-methylsulfanyl-2-pyridinyl)tin;5-[4-[1-[[5-(5-methylsulfanyl-2-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;octane?
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;butyl-(5-methylsulfanyl-2-pyridinyl)tin;5-[4-[1-[[5-(5-methylsulfanyl-2-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;octane has a molecular weight of 1363.29 g/mol, XLogP of 16.03, 22 rotatable bonds, 0 hydrogen bond donors, and 20 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;butyl-(5-methylsulfanyl-2-pyridinyl)tin;5-[4-[1-[[5-(5-methylsulfanyl-2-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;octane is sourced from PubChem (CID 157474786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).