3-(2-methoxyethyl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole

C11H17F3N4OS — CID 133369769

IUPAC3-(2-methoxyethyl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCOCCc1nsc(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C11H17F3N4OS/c1-19-7-2-9-15-10(20-16-9)18-5-3-17(4-6-18)8-11(12,13)14/h2-8H2,1H3
InChIKeyKSOSGMDDTHNHOY-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.41
Rot. Bonds5

About 3-(2-methoxyethyl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole

3-(2-methoxyethyl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole (PubChem CID 133369769) has the molecular formula C11H17F3N4OS and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole
PubChem CID133369769
Molecular FormulaC11H17F3N4OS
Molecular Weight310.35 g/mol
Exact Mass310.11
IUPAC Name3-(2-methoxyethyl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCOCCc1nsc(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C11H17F3N4OS/c1-19-7-2-9-15-10(20-16-9)18-5-3-17(4-6-18)8-11(12,13)14/h2-8H2,1H3
InChIKeyKSOSGMDDTHNHOY-UHFFFAOYSA-N
XLogP1.41
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole (CID 133369769) is 3-(2-methoxyethyl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole is COCCc1nsc(N2CCN(CC(F)(F)F)CC2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole?
The InChIKey is KSOSGMDDTHNHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4OS/c1-19-7-2-9-15-10(20-16-9)18-5-3-17(4-6-18)8-11(12,13)14/h2-8H2,1H3.
What are the key properties of 3-(2-methoxyethyl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole?
3-(2-methoxyethyl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole has a molecular weight of 310.35 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 133369769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).