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

C23H25N5O5S2 — CID 131985273

IUPAC5-[4-[[5-(2-methylsulfonylphenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC(Oc3nc4ccc(Oc5ccccc5S(C)(=O)=O)nc4s3)CC2)n1
InChIInChI=1S/C23H25N5O5S2/c1-14(2)20-26-22(33-27-20)28-12-10-15(11-13-28)31-23-24-16-8-9-19(25-21(16)34-23)32-17-6-4-5-7-18(17)35(3,29)30/h4-9,14-15H,10-13H2,1-3H3
InChIKeyJBPRUFKUGAEIFB-UHFFFAOYSA-N
MW515.62 g/mol
LogP4.44
Rot. Bonds7

About 5-[4-[[5-(2-methylsulfonylphenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[4-[[5-(2-methylsulfonylphenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 131985273) has the molecular formula C23H25N5O5S2 and a molecular weight of 515.62 g/mol. Its IUPAC name is 5-[4-[[5-(2-methylsulfonylphenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-[[5-(2-methylsulfonylphenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID131985273
Molecular FormulaC23H25N5O5S2
Molecular Weight515.62 g/mol
Exact Mass515.13
IUPAC Name5-[4-[[5-(2-methylsulfonylphenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC(Oc3nc4ccc(Oc5ccccc5S(C)(=O)=O)nc4s3)CC2)n1
InChIInChI=1S/C23H25N5O5S2/c1-14(2)20-26-22(33-27-20)28-12-10-15(11-13-28)31-23-24-16-8-9-19(25-21(16)34-23)32-17-6-4-5-7-18(17)35(3,29)30/h4-9,14-15H,10-13H2,1-3H3
InChIKeyJBPRUFKUGAEIFB-UHFFFAOYSA-N
XLogP4.44
TPSA120.54 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.62
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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

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Related Compounds

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-(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-[1-[5-(4-methylsulfonylphenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131985115
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
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-[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-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 140516723
5-[4-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 59856806
5-[4-[(2R)-4-[(5-methylsulfonyl-2-pyridinyl)oxy]butan-2-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 59293910
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-[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 67616450
5-[4-[4-(4-methylsulfonylphenoxy)pyrazol-1-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 69053566

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[5-(2-methylsulfonylphenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-[[5-(2-methylsulfonylphenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 131985273) is 5-[4-[[5-(2-methylsulfonylphenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-[[5-(2-methylsulfonylphenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-[[5-(2-methylsulfonylphenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(N2CCC(Oc3nc4ccc(Oc5ccccc5S(C)(=O)=O)nc4s3)CC2)n1.
What is the InChIKey of 5-[4-[[5-(2-methylsulfonylphenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is JBPRUFKUGAEIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O5S2/c1-14(2)20-26-22(33-27-20)28-12-10-15(11-13-28)31-23-24-16-8-9-19(25-21(16)34-23)32-17-6-4-5-7-18(17)35(3,29)30/h4-9,14-15H,10-13H2,1-3H3.
What are the key properties of 5-[4-[[5-(2-methylsulfonylphenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[4-[[5-(2-methylsulfonylphenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 515.62 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[5-(2-methylsulfonylphenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 131985273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).