4-[4-(2-methoxyphenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine

C21H15N5O2S — CID 44580755

IUPAC4-[4-(2-methoxyphenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
SMILESCOc1ccccc1-c1ccc(Oc2cncc3sc(-c4nn[nH]n4)cc23)cc1
InChIInChI=1S/C21H15N5O2S/c1-27-17-5-3-2-4-15(17)13-6-8-14(9-7-13)28-18-11-22-12-20-16(18)10-19(29-20)21-23-25-26-24-21/h2-12H,1H3,(H,23,24,25,26)
InChIKeyATERWDADHHMHGZ-UHFFFAOYSA-N
MW401.45 g/mol
LogP4.94
Rot. Bonds5

About 4-[4-(2-methoxyphenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine

4-[4-(2-methoxyphenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine (PubChem CID 44580755) has the molecular formula C21H15N5O2S and a molecular weight of 401.45 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
PubChem CID44580755
Molecular FormulaC21H15N5O2S
Molecular Weight401.45 g/mol
Exact Mass401.09
IUPAC Name4-[4-(2-methoxyphenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
SMILESCOc1ccccc1-c1ccc(Oc2cncc3sc(-c4nn[nH]n4)cc23)cc1
InChIInChI=1S/C21H15N5O2S/c1-27-17-5-3-2-4-15(17)13-6-8-14(9-7-13)28-18-11-22-12-20-16(18)10-19(29-20)21-23-25-26-24-21/h2-12H,1H3,(H,23,24,25,26)
InChIKeyATERWDADHHMHGZ-UHFFFAOYSA-N
XLogP4.94
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-(2-methoxyphenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine 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 4-[4-(2-methoxyphenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
The IUPAC name of 4-[4-(2-methoxyphenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine (CID 44580755) is 4-[4-(2-methoxyphenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
The canonical SMILES for 4-[4-(2-methoxyphenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine is COc1ccccc1-c1ccc(Oc2cncc3sc(-c4nn[nH]n4)cc23)cc1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
The InChIKey is ATERWDADHHMHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O2S/c1-27-17-5-3-2-4-15(17)13-6-8-14(9-7-13)28-18-11-22-12-20-16(18)10-19(29-20)21-23-25-26-24-21/h2-12H,1H3,(H,23,24,25,26).
What are the key properties of 4-[4-(2-methoxyphenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
4-[4-(2-methoxyphenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine has a molecular weight of 401.45 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine is sourced from PubChem (CID 44580755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).