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

C21H15N5O2S — CID 44580758

IUPAC4-[4-(3-methoxyphenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
SMILESCOc1cccc(-c2ccc(Oc3cncc4sc(-c5nn[nH]n5)cc34)cc2)c1
InChIInChI=1S/C21H15N5O2S/c1-27-16-4-2-3-14(9-16)13-5-7-15(8-6-13)28-18-11-22-12-20-17(18)10-19(29-20)21-23-25-26-24-21/h2-12H,1H3,(H,23,24,25,26)
InChIKeyUBNBGXVNHMNBMY-UHFFFAOYSA-N
MW401.45 g/mol
LogP4.94
Rot. Bonds5

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

4-[4-(3-methoxyphenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine (PubChem CID 44580758) has the molecular formula C21H15N5O2S and a molecular weight of 401.45 g/mol. Its IUPAC name is 4-[4-(3-methoxyphenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine.

Molecular Properties

Compound Name4-[4-(3-methoxyphenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
PubChem CID44580758
Molecular FormulaC21H15N5O2S
Molecular Weight401.45 g/mol
Exact Mass401.09
IUPAC Name4-[4-(3-methoxyphenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
SMILESCOc1cccc(-c2ccc(Oc3cncc4sc(-c5nn[nH]n5)cc34)cc2)c1
InChIInChI=1S/C21H15N5O2S/c1-27-16-4-2-3-14(9-16)13-5-7-15(8-6-13)28-18-11-22-12-20-17(18)10-19(29-20)21-23-25-26-24-21/h2-12H,1H3,(H,23,24,25,26)
InChIKeyUBNBGXVNHMNBMY-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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methoxyphenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
The IUPAC name of 4-[4-(3-methoxyphenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine (CID 44580758) is 4-[4-(3-methoxyphenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine.
What is the SMILES notation for 4-[4-(3-methoxyphenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
The canonical SMILES for 4-[4-(3-methoxyphenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine is COc1cccc(-c2ccc(Oc3cncc4sc(-c5nn[nH]n5)cc34)cc2)c1.
What is the InChIKey of 4-[4-(3-methoxyphenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
The InChIKey is UBNBGXVNHMNBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O2S/c1-27-16-4-2-3-14(9-16)13-5-7-15(8-6-13)28-18-11-22-12-20-17(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-(3-methoxyphenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
4-[4-(3-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-(3-methoxyphenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine is sourced from PubChem (CID 44580758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).