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

C27H31N5O3S2 — CID 131985251

IUPAC5-[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
SMILESCC(C)c1noc(N2CCC(C(C)Oc3nc4ccc(-c5ccc(S(=O)C6CC6)cc5)nc4s3)CC2)n1
InChIInChI=1S/C27H31N5O3S2/c1-16(2)24-30-26(35-31-24)32-14-12-18(13-15-32)17(3)34-27-29-23-11-10-22(28-25(23)36-27)19-4-6-20(7-5-19)37(33)21-8-9-21/h4-7,10-11,16-18,21H,8-9,12-15H2,1-3H3
InChIKeySTDFZOKCLFVYRC-UHFFFAOYSA-N
MW537.71 g/mol
LogP5.82
Rot. Bonds8

About 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

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 (PubChem CID 131985251) has the molecular formula C27H31N5O3S2 and a molecular weight of 537.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID131985251
Molecular FormulaC27H31N5O3S2
Molecular Weight537.71 g/mol
Exact Mass537.19
IUPAC Name5-[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
SMILESCC(C)c1noc(N2CCC(C(C)Oc3nc4ccc(-c5ccc(S(=O)C6CC6)cc5)nc4s3)CC2)n1
InChIInChI=1S/C27H31N5O3S2/c1-16(2)24-30-26(35-31-24)32-14-12-18(13-15-32)17(3)34-27-29-23-11-10-22(28-25(23)36-27)19-4-6-20(7-5-19)37(33)21-8-9-21/h4-7,10-11,16-18,21H,8-9,12-15H2,1-3H3
InChIKeySTDFZOKCLFVYRC-UHFFFAOYSA-N
XLogP5.82
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.71
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 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-(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-(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-[2-[[5-(4-methylsulfinylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]propylidene]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 145380271
[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
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
[5-[2-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]methanesulfinic acid
CID 146315249
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-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 59177801
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-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]pyrimidine-2-sulfinate
CID 131999142

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1noc(N2CCC(C(C)Oc3nc4ccc(-c5ccc(S(=O)C6CC6)cc5)nc4s3)CC2)n1.
What is the InChIKey of 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?
The InChIKey is STDFZOKCLFVYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3S2/c1-16(2)24-30-26(35-31-24)32-14-12-18(13-15-32)17(3)34-27-29-23-11-10-22(28-25(23)36-27)19-4-6-20(7-5-19)37(33)21-8-9-21/h4-7,10-11,16-18,21H,8-9,12-15H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 537.71 g/mol, XLogP of 5.82, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 131985251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).