3-piperidin-1-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole

C14H18N4OS — CID 116807334

IUPAC3-piperidin-1-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
SMILESc1cc2c(s1)CCNC2c1nc(N2CCCCC2)no1
InChIInChI=1S/C14H18N4OS/c1-2-7-18(8-3-1)14-16-13(19-17-14)12-10-5-9-20-11(10)4-6-15-12/h5,9,12,15H,1-4,6-8H2
InChIKeyCGQGSGXJGQCMRU-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.36
Rot. Bonds2

About 3-piperidin-1-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole

3-piperidin-1-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole (PubChem CID 116807334) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-piperidin-1-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-piperidin-1-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
PubChem CID116807334
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name3-piperidin-1-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
SMILESc1cc2c(s1)CCNC2c1nc(N2CCCCC2)no1
InChIInChI=1S/C14H18N4OS/c1-2-7-18(8-3-1)14-16-13(19-17-14)12-10-5-9-20-11(10)4-6-15-12/h5,9,12,15H,1-4,6-8H2
InChIKeyCGQGSGXJGQCMRU-UHFFFAOYSA-N
XLogP2.36
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-piperidin-1-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole (CID 116807334) is 3-piperidin-1-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-piperidin-1-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-piperidin-1-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole is c1cc2c(s1)CCNC2c1nc(N2CCCCC2)no1.
What is the InChIKey of 3-piperidin-1-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole?
The InChIKey is CGQGSGXJGQCMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-2-7-18(8-3-1)14-16-13(19-17-14)12-10-5-9-20-11(10)4-6-15-12/h5,9,12,15H,1-4,6-8H2.
What are the key properties of 3-piperidin-1-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole?
3-piperidin-1-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole has a molecular weight of 290.39 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 116807334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).