5-[4-[1-[[5-(6-methylsulfonyl-3-pyridinyl)-1,2,4-thiadiazol-3-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

C20H26N6O4S2 — CID 131984708

IUPAC5-[4-[1-[[5-(6-methylsulfonyl-3-pyridinyl)-1,2,4-thiadiazol-3-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC(C(C)Oc3nsc(-c4ccc(S(C)(=O)=O)nc4)n3)CC2)n1
InChIInChI=1S/C20H26N6O4S2/c1-12(2)17-22-20(30-24-17)26-9-7-14(8-10-26)13(3)29-19-23-18(31-25-19)15-5-6-16(21-11-15)32(4,27)28/h5-6,11-14H,7-10H2,1-4H3
InChIKeyDSJAEHGUZQNUTP-UHFFFAOYSA-N
MW478.60 g/mol
LogP3.19
Rot. Bonds7

About 5-[4-[1-[[5-(6-methylsulfonyl-3-pyridinyl)-1,2,4-thiadiazol-3-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[4-[1-[[5-(6-methylsulfonyl-3-pyridinyl)-1,2,4-thiadiazol-3-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 131984708) has the molecular formula C20H26N6O4S2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 5-[4-[1-[[5-(6-methylsulfonyl-3-pyridinyl)-1,2,4-thiadiazol-3-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-[1-[[5-(6-methylsulfonyl-3-pyridinyl)-1,2,4-thiadiazol-3-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID131984708
Molecular FormulaC20H26N6O4S2
Molecular Weight478.60 g/mol
Exact Mass478.15
IUPAC Name5-[4-[1-[[5-(6-methylsulfonyl-3-pyridinyl)-1,2,4-thiadiazol-3-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC(C(C)Oc3nsc(-c4ccc(S(C)(=O)=O)nc4)n3)CC2)n1
InChIInChI=1S/C20H26N6O4S2/c1-12(2)17-22-20(30-24-17)26-9-7-14(8-10-26)13(3)29-19-23-18(31-25-19)15-5-6-16(21-11-15)32(4,27)28/h5-6,11-14H,7-10H2,1-4H3
InChIKeyDSJAEHGUZQNUTP-UHFFFAOYSA-N
XLogP3.19
TPSA124.20 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 5-[4-[1-[[5-(6-methylsulfonyl-3-pyridinyl)-1,2,4-thiadiazol-3-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

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-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 59177801
5-[4-[(2R)-4-[(6-methylsulfonyl-3-pyridinyl)oxy]butan-2-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 68548914
5-[4-[1-[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 59177753
N-methyl-N-[2-[(6-methylsulfonyl-3-pyridinyl)oxy]ethyl]-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-amine
CID 71657206
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
3-propan-2-yl-5-[4-[(1S)-1-(5-pyridazin-4-ylpyrazin-2-yl)oxyethyl]piperidin-1-yl]-1,2,4-oxadiazole
CID 44628381
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
N-[3-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]phenyl]methanesulfonamide
CID 175223353
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-[(2R)-4-[(5-methylsulfonyl-2-pyridinyl)oxy]butan-2-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 59293910
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-(6-methylsulfonyl-3-pyridinyl)-1,2,4-thiadiazol-3-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-[1-[[5-(6-methylsulfonyl-3-pyridinyl)-1,2,4-thiadiazol-3-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 131984708) is 5-[4-[1-[[5-(6-methylsulfonyl-3-pyridinyl)-1,2,4-thiadiazol-3-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-[1-[[5-(6-methylsulfonyl-3-pyridinyl)-1,2,4-thiadiazol-3-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-[1-[[5-(6-methylsulfonyl-3-pyridinyl)-1,2,4-thiadiazol-3-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(N2CCC(C(C)Oc3nsc(-c4ccc(S(C)(=O)=O)nc4)n3)CC2)n1.
What is the InChIKey of 5-[4-[1-[[5-(6-methylsulfonyl-3-pyridinyl)-1,2,4-thiadiazol-3-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is DSJAEHGUZQNUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O4S2/c1-12(2)17-22-20(30-24-17)26-9-7-14(8-10-26)13(3)29-19-23-18(31-25-19)15-5-6-16(21-11-15)32(4,27)28/h5-6,11-14H,7-10H2,1-4H3.
What are the key properties of 5-[4-[1-[[5-(6-methylsulfonyl-3-pyridinyl)-1,2,4-thiadiazol-3-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[4-[1-[[5-(6-methylsulfonyl-3-pyridinyl)-1,2,4-thiadiazol-3-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 478.60 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-[[5-(6-methylsulfonyl-3-pyridinyl)-1,2,4-thiadiazol-3-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 131984708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).