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

C11H14ClN3OS — CID 52951031

IUPAC5-[(3S)-piperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1csc(-c2noc([C@H]3CCCNC3)n2)c1
InChIInChI=1S/C11H13N3OS.ClH/c1-3-8(7-12-5-1)11-13-10(14-15-11)9-4-2-6-16-9;/h2,4,6,8,12H,1,3,5,7H2;1H/t8-;/m0./s1
InChIKeyQSBQSATYSMGPRD-QRPNPIFTSA-N
MW271.77 g/mol
LogP2.69
Rot. Bonds2

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

5-[(3S)-piperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride (PubChem CID 52951031) has the molecular formula C11H14ClN3OS and a molecular weight of 271.77 g/mol. Its IUPAC name is 5-[(3S)-piperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-[(3S)-piperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride
PubChem CID52951031
Molecular FormulaC11H14ClN3OS
Molecular Weight271.77 g/mol
Exact Mass271.05
IUPAC Name5-[(3S)-piperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1csc(-c2noc([C@H]3CCCNC3)n2)c1
InChIInChI=1S/C11H13N3OS.ClH/c1-3-8(7-12-5-1)11-13-10(14-15-11)9-4-2-6-16-9;/h2,4,6,8,12H,1,3,5,7H2;1H/t8-;/m0./s1
InChIKeyQSBQSATYSMGPRD-QRPNPIFTSA-N
XLogP2.69
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-piperidin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride
CID 66618635
(2R)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120835614
3-(furan-2-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 68927912
4-(piperidin-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120858346
3-(2-methyl-1,3-thiazol-5-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 68926446
3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 29039427
5-[(2S,4S)-2-methylpiperidin-4-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 120835592
5-(2-methylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 106743244
3-(3-chlorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 69411242
5-(2-piperidin-3-ylpropyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 81046211
5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride
CID 120835622
3-(5-chlorofuran-2-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 115080752

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-piperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-[(3S)-piperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride (CID 52951031) is 5-[(3S)-piperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-[(3S)-piperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-[(3S)-piperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride is Cl.c1csc(-c2noc([C@H]3CCCNC3)n2)c1.
What is the InChIKey of 5-[(3S)-piperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is QSBQSATYSMGPRD-QRPNPIFTSA-N. The full InChI is InChI=1S/C11H13N3OS.ClH/c1-3-8(7-12-5-1)11-13-10(14-15-11)9-4-2-6-16-9;/h2,4,6,8,12H,1,3,5,7H2;1H/t8-;/m0./s1.
What are the key properties of 5-[(3S)-piperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride?
5-[(3S)-piperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 271.77 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-piperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 52951031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).