2-thiophen-2-yl-5-[(1S)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole

C14H16F3N3OS — CID 94871588

IUPAC2-thiophen-2-yl-5-[(1S)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole
SMILESC[C@@H](c1nnc(-c2cccs2)o1)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C14H16F3N3OS/c1-9(20-6-2-4-10(8-20)14(15,16)17)12-18-19-13(21-12)11-5-3-7-22-11/h3,5,7,9-10H,2,4,6,8H2,1H3/t9-,10-/m0/s1
InChIKeyKQPLJPLDBPQFIU-UWVGGRQHSA-N
MW331.36 g/mol
LogP4.13
Rot. Bonds3

About 2-thiophen-2-yl-5-[(1S)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole

2-thiophen-2-yl-5-[(1S)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole (PubChem CID 94871588) has the molecular formula C14H16F3N3OS and a molecular weight of 331.36 g/mol. Its IUPAC name is 2-thiophen-2-yl-5-[(1S)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-thiophen-2-yl-5-[(1S)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole
PubChem CID94871588
Molecular FormulaC14H16F3N3OS
Molecular Weight331.36 g/mol
Exact Mass331.10
IUPAC Name2-thiophen-2-yl-5-[(1S)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole
SMILESC[C@@H](c1nnc(-c2cccs2)o1)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C14H16F3N3OS/c1-9(20-6-2-4-10(8-20)14(15,16)17)12-18-19-13(21-12)11-5-3-7-22-11/h3,5,7,9-10H,2,4,6,8H2,1H3/t9-,10-/m0/s1
InChIKeyKQPLJPLDBPQFIU-UWVGGRQHSA-N
XLogP4.13
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-5-[(1S)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-thiophen-2-yl-5-[(1S)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole (CID 94871588) is 2-thiophen-2-yl-5-[(1S)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-thiophen-2-yl-5-[(1S)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-thiophen-2-yl-5-[(1S)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole is C[C@@H](c1nnc(-c2cccs2)o1)N1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of 2-thiophen-2-yl-5-[(1S)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole?
The InChIKey is KQPLJPLDBPQFIU-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H16F3N3OS/c1-9(20-6-2-4-10(8-20)14(15,16)17)12-18-19-13(21-12)11-5-3-7-22-11/h3,5,7,9-10H,2,4,6,8H2,1H3/t9-,10-/m0/s1.
What are the key properties of 2-thiophen-2-yl-5-[(1S)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole?
2-thiophen-2-yl-5-[(1S)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole has a molecular weight of 331.36 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-5-[(1S)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 94871588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).