2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-phenyl-1,3,4-oxadiazole

C16H15N3OS — CID 71579574

IUPAC2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(CN3CCc4ccsc4C3)o2)cc1
InChIInChI=1S/C16H15N3OS/c1-2-4-13(5-3-1)16-18-17-15(20-16)11-19-8-6-12-7-9-21-14(12)10-19/h1-5,7,9H,6,8,10-11H2
InChIKeyFDESCFBTMWYTKN-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.36
Rot. Bonds3

About 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-phenyl-1,3,4-oxadiazole

2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-phenyl-1,3,4-oxadiazole (PubChem CID 71579574) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-phenyl-1,3,4-oxadiazole
PubChem CID71579574
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(CN3CCc4ccsc4C3)o2)cc1
InChIInChI=1S/C16H15N3OS/c1-2-4-13(5-3-1)16-18-17-15(20-16)11-19-8-6-12-7-9-21-14(12)10-19/h1-5,7,9H,6,8,10-11H2
InChIKeyFDESCFBTMWYTKN-UHFFFAOYSA-N
XLogP3.36
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-phenyl-1,3,4-oxadiazole (CID 71579574) is 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(CN3CCc4ccsc4C3)o2)cc1.
What is the InChIKey of 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is FDESCFBTMWYTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-2-4-13(5-3-1)16-18-17-15(20-16)11-19-8-6-12-7-9-21-14(12)10-19/h1-5,7,9H,6,8,10-11H2.
What are the key properties of 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-phenyl-1,3,4-oxadiazole?
2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-phenyl-1,3,4-oxadiazole has a molecular weight of 297.38 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 71579574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).