2-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole

C19H22F2N4OS — CID 126952869

IUPAC2-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(CN2CCC(Oc3cccc4c3ccn4CC(F)F)CC2)s1
InChIInChI=1S/C19H22F2N4OS/c1-13-22-23-19(27-13)12-24-8-5-14(6-9-24)26-17-4-2-3-16-15(17)7-10-25(16)11-18(20)21/h2-4,7,10,14,18H,5-6,8-9,11-12H2,1H3
InChIKeyOFYZGISVZAEEIF-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.11
Rot. Bonds6

About 2-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole

2-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole (PubChem CID 126952869) has the molecular formula C19H22F2N4OS and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
PubChem CID126952869
Molecular FormulaC19H22F2N4OS
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name2-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(CN2CCC(Oc3cccc4c3ccn4CC(F)F)CC2)s1
InChIInChI=1S/C19H22F2N4OS/c1-13-22-23-19(27-13)12-24-8-5-14(6-9-24)26-17-4-2-3-16-15(17)7-10-25(16)11-18(20)21/h2-4,7,10,14,18H,5-6,8-9,11-12H2,1H3
InChIKeyOFYZGISVZAEEIF-UHFFFAOYSA-N
XLogP4.11
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole (CID 126952869) is 2-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole is Cc1nnc(CN2CCC(Oc3cccc4c3ccn4CC(F)F)CC2)s1.
What is the InChIKey of 2-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is OFYZGISVZAEEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4OS/c1-13-22-23-19(27-13)12-24-8-5-14(6-9-24)26-17-4-2-3-16-15(17)7-10-25(16)11-18(20)21/h2-4,7,10,14,18H,5-6,8-9,11-12H2,1H3.
What are the key properties of 2-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole?
2-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 392.48 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 126952869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).