4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxybenzonitrile

C15H8N6OS — CID 127048191

IUPAC4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxybenzonitrile
SMILESN#Cc1ccc(Oc2cncc3sc(-c4nn[nH]n4)cc23)cc1
InChIInChI=1S/C15H8N6OS/c16-6-9-1-3-10(4-2-9)22-12-7-17-8-14-11(12)5-13(23-14)15-18-20-21-19-15/h1-5,7-8H,(H,18,19,20,21)
InChIKeyRDLVYLCFTGIOIP-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.14
Rot. Bonds3

About 4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxybenzonitrile

4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxybenzonitrile (PubChem CID 127048191) has the molecular formula C15H8N6OS and a molecular weight of 320.34 g/mol. Its IUPAC name is 4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxybenzonitrile
PubChem CID127048191
Molecular FormulaC15H8N6OS
Molecular Weight320.34 g/mol
Exact Mass320.05
IUPAC Name4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxybenzonitrile
SMILESN#Cc1ccc(Oc2cncc3sc(-c4nn[nH]n4)cc23)cc1
InChIInChI=1S/C15H8N6OS/c16-6-9-1-3-10(4-2-9)22-12-7-17-8-14-11(12)5-13(23-14)15-18-20-21-19-15/h1-5,7-8H,(H,18,19,20,21)
InChIKeyRDLVYLCFTGIOIP-UHFFFAOYSA-N
XLogP3.14
TPSA100.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxybenzonitrile?
The IUPAC name of 4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxybenzonitrile (CID 127048191) is 4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxybenzonitrile.
What is the SMILES notation for 4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxybenzonitrile?
The canonical SMILES for 4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxybenzonitrile is N#Cc1ccc(Oc2cncc3sc(-c4nn[nH]n4)cc23)cc1.
What is the InChIKey of 4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxybenzonitrile?
The InChIKey is RDLVYLCFTGIOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N6OS/c16-6-9-1-3-10(4-2-9)22-12-7-17-8-14-11(12)5-13(23-14)15-18-20-21-19-15/h1-5,7-8H,(H,18,19,20,21).
What are the key properties of 4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxybenzonitrile?
4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxybenzonitrile has a molecular weight of 320.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxybenzonitrile is sourced from PubChem (CID 127048191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).