2-pyridin-3-yl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazole

C15H13N3OS — CID 29134591

IUPAC2-pyridin-3-yl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazole
SMILESc1cncc(-c2nnc(-c3csc4c3CCCC4)o2)c1
InChIInChI=1S/C15H13N3OS/c1-2-6-13-11(5-1)12(9-20-13)15-18-17-14(19-15)10-4-3-7-16-8-10/h3-4,7-9H,1-2,5-6H2
InChIKeyGQPHMDVHLHGZND-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.74
Rot. Bonds2

About 2-pyridin-3-yl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazole

2-pyridin-3-yl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazole (PubChem CID 29134591) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-pyridin-3-yl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-pyridin-3-yl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazole
PubChem CID29134591
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2-pyridin-3-yl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazole
SMILESc1cncc(-c2nnc(-c3csc4c3CCCC4)o2)c1
InChIInChI=1S/C15H13N3OS/c1-2-6-13-11(5-1)12(9-20-13)15-18-17-14(19-15)10-4-3-7-16-8-10/h3-4,7-9H,1-2,5-6H2
InChIKeyGQPHMDVHLHGZND-UHFFFAOYSA-N
XLogP3.74
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-pyridin-3-yl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-pyridin-3-yl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazole (CID 29134591) is 2-pyridin-3-yl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-pyridin-3-yl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-pyridin-3-yl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazole is c1cncc(-c2nnc(-c3csc4c3CCCC4)o2)c1.
What is the InChIKey of 2-pyridin-3-yl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazole?
The InChIKey is GQPHMDVHLHGZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-2-6-13-11(5-1)12(9-20-13)15-18-17-14(19-15)10-4-3-7-16-8-10/h3-4,7-9H,1-2,5-6H2.
What are the key properties of 2-pyridin-3-yl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazole?
2-pyridin-3-yl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazole has a molecular weight of 283.36 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 29134591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).