5-bromo-2-chloro-[1,3]thiazolo[5,4-b]pyridine;5-bromo-2-[1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine;1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethanol

C40H43Br2ClN8O2S2 — CID 159463882

IUPAC5-bromo-2-chloro-[1,3]thiazolo[5,4-b]pyridine;5-bromo-2-[1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine;1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethanol
SMILESC=Cc1ccc(N2CCC(C(C)O)CC2)nc1.C=Cc1ccc(N2CCC(C(C)Oc3nc4ccc(Br)nc4s3)CC2)nc1.Clc1nc2ccc(Br)nc2s1
InChIInChI=1S/C20H21BrN4OS.C14H20N2O.C6H2BrClN2S/c1-3-14-4-7-18(22-12-14)25-10-8-15(9-11-25)13(2)26-20-23-16-5-6-17(21)24-19(16)27-20;1-3-12-4-5-14(15-10-12)16-8-6-13(7-9-16)11(2)17;7-4-2-1-3-5(10-4)11-6(8)9-3/h3-7,12-13,15H,1,8-11H2,2H3;3-5,10-11,13,17H,1,6-9H2,2H3;1-2H
InChIKeyLUXWWZWYDLVEMT-UHFFFAOYSA-N
MW927.23 g/mol
LogP10.60
Rot. Bonds8

About 5-bromo-2-chloro-[1,3]thiazolo[5,4-b]pyridine;5-bromo-2-[1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine;1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethanol

5-bromo-2-chloro-[1,3]thiazolo[5,4-b]pyridine;5-bromo-2-[1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine;1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethanol (PubChem CID 159463882) has the molecular formula C40H43Br2ClN8O2S2 and a molecular weight of 927.23 g/mol. Its IUPAC name is 5-bromo-2-chloro-[1,3]thiazolo[5,4-b]pyridine;5-bromo-2-[1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine;1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name5-bromo-2-chloro-[1,3]thiazolo[5,4-b]pyridine;5-bromo-2-[1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine;1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethanol
PubChem CID159463882
Molecular FormulaC40H43Br2ClN8O2S2
Molecular Weight927.23 g/mol
Exact Mass924.10
IUPAC Name5-bromo-2-chloro-[1,3]thiazolo[5,4-b]pyridine;5-bromo-2-[1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine;1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethanol
SMILESC=Cc1ccc(N2CCC(C(C)O)CC2)nc1.C=Cc1ccc(N2CCC(C(C)Oc3nc4ccc(Br)nc4s3)CC2)nc1.Clc1nc2ccc(Br)nc2s1
InChIInChI=1S/C20H21BrN4OS.C14H20N2O.C6H2BrClN2S/c1-3-14-4-7-18(22-12-14)25-10-8-15(9-11-25)13(2)26-20-23-16-5-6-17(21)24-19(16)27-20;1-3-12-4-5-14(15-10-12)16-8-6-13(7-9-16)11(2)17;7-4-2-1-3-5(10-4)11-6(8)9-3/h3-7,12-13,15H,1,8-11H2,2H3;3-5,10-11,13,17H,1,6-9H2,2H3;1-2H
InChIKeyLUXWWZWYDLVEMT-UHFFFAOYSA-N
XLogP10.60
TPSA113.28 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500927.23
LogP ≤ 510.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 5-bromo-2-chloro-[1,3]thiazolo[5,4-b]pyridine;5-bromo-2-[1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine;1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethanol with MolForge

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Related Compounds

5-bromo-2-[1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine;2-[1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethoxy]-5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridine;(4-methylsulfonylphenyl)boronic acid
CID 159839903
ethane;2-[1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethoxy]-5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridine
CID 145380286
5-bromo-2-[1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethoxy]-1,3-thiazole
CID 175223424
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-(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;trimethyl-(5-methylsulfanylpyrazin-2-yl)stannane
CID 161262894
1-[1-[5-(ethylaminomethyl)-2-pyridinyl]piperidin-4-yl]ethanol
CID 106836727
(1R)-1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]ethanol
CID 100670630
2-[(1S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine
CID 131985242
2-[(1S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-5-(6-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridine
CID 131998369
5-ethenyl-2-(3-propylpyrrolidin-1-yl)pyridine
CID 137453464
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-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole
CID 131985337
5-[4-[1-[[5-(6-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131985190

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-[1,3]thiazolo[5,4-b]pyridine;5-bromo-2-[1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine;1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethanol?
The IUPAC name of 5-bromo-2-chloro-[1,3]thiazolo[5,4-b]pyridine;5-bromo-2-[1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine;1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethanol (CID 159463882) is 5-bromo-2-chloro-[1,3]thiazolo[5,4-b]pyridine;5-bromo-2-[1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine;1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 5-bromo-2-chloro-[1,3]thiazolo[5,4-b]pyridine;5-bromo-2-[1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine;1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethanol?
The canonical SMILES for 5-bromo-2-chloro-[1,3]thiazolo[5,4-b]pyridine;5-bromo-2-[1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine;1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethanol is C=Cc1ccc(N2CCC(C(C)O)CC2)nc1.C=Cc1ccc(N2CCC(C(C)Oc3nc4ccc(Br)nc4s3)CC2)nc1.Clc1nc2ccc(Br)nc2s1.
What is the InChIKey of 5-bromo-2-chloro-[1,3]thiazolo[5,4-b]pyridine;5-bromo-2-[1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine;1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethanol?
The InChIKey is LUXWWZWYDLVEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN4OS.C14H20N2O.C6H2BrClN2S/c1-3-14-4-7-18(22-12-14)25-10-8-15(9-11-25)13(2)26-20-23-16-5-6-17(21)24-19(16)27-20;1-3-12-4-5-14(15-10-12)16-8-6-13(7-9-16)11(2)17;7-4-2-1-3-5(10-4)11-6(8)9-3/h3-7,12-13,15H,1,8-11H2,2H3;3-5,10-11,13,17H,1,6-9H2,2H3;1-2H.
What are the key properties of 5-bromo-2-chloro-[1,3]thiazolo[5,4-b]pyridine;5-bromo-2-[1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine;1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethanol?
5-bromo-2-chloro-[1,3]thiazolo[5,4-b]pyridine;5-bromo-2-[1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine;1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethanol has a molecular weight of 927.23 g/mol, XLogP of 10.60, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-[1,3]thiazolo[5,4-b]pyridine;5-bromo-2-[1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine;1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 159463882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).