(3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine

C14H21N5OS — CID 95339980

IUPAC(3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine
SMILESCCc1nc(CN2CCC[C@H](NCc3cscn3)C2)no1
InChIInChI=1S/C14H21N5OS/c1-2-14-17-13(18-20-14)8-19-5-3-4-11(7-19)15-6-12-9-21-10-16-12/h9-11,15H,2-8H2,1H3/t11-/m0/s1
InChIKeyFOERVJOQNMRPOV-NSHDSACASA-N
MW307.42 g/mol
LogP1.84
Rot. Bonds6

About (3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine

(3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine (PubChem CID 95339980) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is (3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine
PubChem CID95339980
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name(3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine
SMILESCCc1nc(CN2CCC[C@H](NCc3cscn3)C2)no1
InChIInChI=1S/C14H21N5OS/c1-2-14-17-13(18-20-14)8-19-5-3-4-11(7-19)15-6-12-9-21-10-16-12/h9-11,15H,2-8H2,1H3/t11-/m0/s1
InChIKeyFOERVJOQNMRPOV-NSHDSACASA-N
XLogP1.84
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine with MolForge

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Related Compounds

1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119918906
2-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]-6-methylpyridin-3-ol
CID 95299359
3-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide
CID 95614068
(3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(Z)-3-phenylprop-2-enyl]piperidin-3-amine
CID 98511917
(3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
CID 107225702
N-[(3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 95286708
2-[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-pyridin-4-ylacetamide
CID 95334722
N-[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]quinazolin-4-amine
CID 95289671
N-(1,3-thiazol-4-ylmethyl)cyclooctanamine
CID 60687158
(3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine
CID 95606569
ethyl 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxylate
CID 61357063
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 56780943

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine?
The IUPAC name of (3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine (CID 95339980) is (3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine.
What is the SMILES notation for (3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine?
The canonical SMILES for (3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine is CCc1nc(CN2CCC[C@H](NCc3cscn3)C2)no1.
What is the InChIKey of (3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine?
The InChIKey is FOERVJOQNMRPOV-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N5OS/c1-2-14-17-13(18-20-14)8-19-5-3-4-11(7-19)15-6-12-9-21-10-16-12/h9-11,15H,2-8H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine?
(3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine has a molecular weight of 307.42 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine is sourced from PubChem (CID 95339980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).