3-(methoxymethyl)-5-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]-1,2,4-thiadiazole

C11H16F3N3OS — CID 164635685

IUPAC3-(methoxymethyl)-5-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESCOCc1nsc(N2CCC[C@H](CC(F)(F)F)C2)n1
InChIInChI=1S/C11H16F3N3OS/c1-18-7-9-15-10(19-16-9)17-4-2-3-8(6-17)5-11(12,13)14/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyWRKOEKSRLRHNID-MRVPVSSYSA-N
MW295.33 g/mol
LogP2.85
Rot. Bonds4

About 3-(methoxymethyl)-5-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]-1,2,4-thiadiazole

3-(methoxymethyl)-5-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]-1,2,4-thiadiazole (PubChem CID 164635685) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(methoxymethyl)-5-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]-1,2,4-thiadiazole
PubChem CID164635685
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC Name3-(methoxymethyl)-5-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESCOCc1nsc(N2CCC[C@H](CC(F)(F)F)C2)n1
InChIInChI=1S/C11H16F3N3OS/c1-18-7-9-15-10(19-16-9)17-4-2-3-8(6-17)5-11(12,13)14/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyWRKOEKSRLRHNID-MRVPVSSYSA-N
XLogP2.85
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-5-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-(methoxymethyl)-5-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]-1,2,4-thiadiazole (CID 164635685) is 3-(methoxymethyl)-5-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-(methoxymethyl)-5-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-(methoxymethyl)-5-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]-1,2,4-thiadiazole is COCc1nsc(N2CCC[C@H](CC(F)(F)F)C2)n1.
What is the InChIKey of 3-(methoxymethyl)-5-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is WRKOEKSRLRHNID-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16F3N3OS/c1-18-7-9-15-10(19-16-9)17-4-2-3-8(6-17)5-11(12,13)14/h8H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of 3-(methoxymethyl)-5-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]-1,2,4-thiadiazole?
3-(methoxymethyl)-5-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 295.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 164635685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).