5-[4-[1-[[5-(2-fluoro-4-methylsulfanylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

C25H28FN5O2S2 — CID 131985209

IUPAC5-[4-[1-[[5-(2-fluoro-4-methylsulfanylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCSc1ccc(-c2ccc3nc(OC(C)C4CCN(c5nc(C(C)C)no5)CC4)sc3n2)c(F)c1
InChIInChI=1S/C25H28FN5O2S2/c1-14(2)22-29-24(33-30-22)31-11-9-16(10-12-31)15(3)32-25-28-21-8-7-20(27-23(21)35-25)18-6-5-17(34-4)13-19(18)26/h5-8,13-16H,9-12H2,1-4H3
InChIKeyJNOKLFFGNGCMLL-UHFFFAOYSA-N
MW513.66 g/mol
LogP6.41
Rot. Bonds7

About 5-[4-[1-[[5-(2-fluoro-4-methylsulfanylphenyl)-[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-(2-fluoro-4-methylsulfanylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 131985209) has the molecular formula C25H28FN5O2S2 and a molecular weight of 513.66 g/mol. Its IUPAC name is 5-[4-[1-[[5-(2-fluoro-4-methylsulfanylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-[1-[[5-(2-fluoro-4-methylsulfanylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID131985209
Molecular FormulaC25H28FN5O2S2
Molecular Weight513.66 g/mol
Exact Mass513.17
IUPAC Name5-[4-[1-[[5-(2-fluoro-4-methylsulfanylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCSc1ccc(-c2ccc3nc(OC(C)C4CCN(c5nc(C(C)C)no5)CC4)sc3n2)c(F)c1
InChIInChI=1S/C25H28FN5O2S2/c1-14(2)22-29-24(33-30-22)31-11-9-16(10-12-31)15(3)32-25-28-21-8-7-20(27-23(21)35-25)18-6-5-17(34-4)13-19(18)26/h5-8,13-16H,9-12H2,1-4H3
InChIKeyJNOKLFFGNGCMLL-UHFFFAOYSA-N
XLogP6.41
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.66
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[4-[1-[[5-(2-fluoro-4-methylsulfanylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

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-(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
5-[4-[1-[[5-(4-cyclopropylsulfinylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131985251
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
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
5-[4-[1-[(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-3-[4-[2-[[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfanylmethyl]cyclopropyl]butan-2-yl]-1,2,4-oxadiazole
CID 163753830
5-[4-[1-[6-(2-fluoro-6-methylsulfonyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 137489422
[4-[2-[1-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]methanesulfinate
CID 146315229
[4-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[4,5-b]pyrazin-6-yl]phenyl]methanesulfinic acid
CID 146315244
2-chloro-6-(2-fluoro-6-methylsulfanyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole;5-[4-[(1R)-1-[6-(2-fluoro-6-methylsulfanyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;(1S)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol
CID 158667615
6-(2-fluoro-4-methylsulfanylphenyl)-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]imidazo[2,1-b][1,3,4]thiadiazole
CID 131999156
3-propan-2-yl-5-[4-[(1S)-1-(5-pyridazin-4-ylpyrazin-2-yl)oxyethyl]piperidin-1-yl]-1,2,4-oxadiazole
CID 44628381

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-[[5-(2-fluoro-4-methylsulfanylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-[1-[[5-(2-fluoro-4-methylsulfanylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 131985209) is 5-[4-[1-[[5-(2-fluoro-4-methylsulfanylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-[1-[[5-(2-fluoro-4-methylsulfanylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-[1-[[5-(2-fluoro-4-methylsulfanylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is CSc1ccc(-c2ccc3nc(OC(C)C4CCN(c5nc(C(C)C)no5)CC4)sc3n2)c(F)c1.
What is the InChIKey of 5-[4-[1-[[5-(2-fluoro-4-methylsulfanylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is JNOKLFFGNGCMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O2S2/c1-14(2)22-29-24(33-30-22)31-11-9-16(10-12-31)15(3)32-25-28-21-8-7-20(27-23(21)35-25)18-6-5-17(34-4)13-19(18)26/h5-8,13-16H,9-12H2,1-4H3.
What are the key properties of 5-[4-[1-[[5-(2-fluoro-4-methylsulfanylphenyl)-[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-(2-fluoro-4-methylsulfanylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 513.66 g/mol, XLogP of 6.41, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-[[5-(2-fluoro-4-methylsulfanylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 131985209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).