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

C14H19N3OS — CID 95156130

IUPAC2-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESC[C@H]1CCCN([C@@H](C)c2nnc(-c3cccs3)o2)C1
InChIInChI=1S/C14H19N3OS/c1-10-5-3-7-17(9-10)11(2)13-15-16-14(18-13)12-6-4-8-19-12/h4,6,8,10-11H,3,5,7,9H2,1-2H3/t10-,11-/m0/s1
InChIKeyXXQWTMSXVMQLIY-QWRGUYRKSA-N
MW277.39 g/mol
LogP3.59
Rot. Bonds3

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

2-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 95156130) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID95156130
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESC[C@H]1CCCN([C@@H](C)c2nnc(-c3cccs3)o2)C1
InChIInChI=1S/C14H19N3OS/c1-10-5-3-7-17(9-10)11(2)13-15-16-14(18-13)12-6-4-8-19-12/h4,6,8,10-11H,3,5,7,9H2,1-2H3/t10-,11-/m0/s1
InChIKeyXXQWTMSXVMQLIY-QWRGUYRKSA-N
XLogP3.59
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole with MolForge

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Related Compounds

(2R,6S)-2,6-dimethyl-4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
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1-[1-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrrolidin-3-yl]ethanol
CID 110019750
[1-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrrolidin-3-yl]methanol
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2-[(1S)-1-[(4S)-4-propylazepan-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 97027423
2-thiophen-2-yl-5-[(1R)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-1,3,4-oxadiazole
CID 9042773
1-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperidine-4-carboxamide
CID 9034758
(2R)-2-phenyl-4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 94820850
(6R)-2,2,6-trimethyl-4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 95136868
(2R)-N-cyclopropyl-2-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propanamide
CID 51928787
(2S)-1-[4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol
CID 95312493
(2R)-1-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol
CID 95312496
4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-2-one
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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 95156130) is 2-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole is C[C@H]1CCCN([C@@H](C)c2nnc(-c3cccs3)o2)C1.
What is the InChIKey of 2-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is XXQWTMSXVMQLIY-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10-5-3-7-17(9-10)11(2)13-15-16-14(18-13)12-6-4-8-19-12/h4,6,8,10-11H,3,5,7,9H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of 2-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 277.39 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 95156130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).