5-[2,5-bis(4-methoxyphenyl)thiophen-3-yl]-2H-tetrazole

C19H16N4O2S — CID 68711188

IUPAC5-[2,5-bis(4-methoxyphenyl)thiophen-3-yl]-2H-tetrazole
SMILESCOc1ccc(-c2cc(-c3nn[nH]n3)c(-c3ccc(OC)cc3)s2)cc1
InChIInChI=1S/C19H16N4O2S/c1-24-14-7-3-12(4-8-14)17-11-16(19-20-22-23-21-19)18(26-17)13-5-9-15(25-2)10-6-13/h3-11H,1-2H3,(H,20,21,22,23)
InChIKeyXGKFZWSYKXQMJU-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.28
Rot. Bonds5

About 5-[2,5-bis(4-methoxyphenyl)thiophen-3-yl]-2H-tetrazole

5-[2,5-bis(4-methoxyphenyl)thiophen-3-yl]-2H-tetrazole (PubChem CID 68711188) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 5-[2,5-bis(4-methoxyphenyl)thiophen-3-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2,5-bis(4-methoxyphenyl)thiophen-3-yl]-2H-tetrazole
PubChem CID68711188
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name5-[2,5-bis(4-methoxyphenyl)thiophen-3-yl]-2H-tetrazole
SMILESCOc1ccc(-c2cc(-c3nn[nH]n3)c(-c3ccc(OC)cc3)s2)cc1
InChIInChI=1S/C19H16N4O2S/c1-24-14-7-3-12(4-8-14)17-11-16(19-20-22-23-21-19)18(26-17)13-5-9-15(25-2)10-6-13/h3-11H,1-2H3,(H,20,21,22,23)
InChIKeyXGKFZWSYKXQMJU-UHFFFAOYSA-N
XLogP4.28
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-Octylphenoxy)-3-(5-thiophen-2-yltetrazol-2-yl)propan-2-one
CID 153933340
5-[5-(4-Methoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide
CID 155542367
3-[5-[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]thiophen-2-yl]prop-2-yn-1-ol
CID 127043016
5-[4,5-bis[2-(trifluoromethoxy)phenyl]thiophen-2-yl]-2H-tetrazole
CID 60197446
5-[3-[[5-(5-fluoro-2-methoxyphenyl)thiophen-2-yl]sulfonylmethyl]phenyl]-2H-tetrazole
CID 152937405
5-[3-[[5-(4-fluoro-2-methoxyphenyl)thiophen-2-yl]sulfonylmethyl]phenyl]-2H-tetrazole
CID 158049881
5-[5-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]thiophen-2-yl]-2H-tetrazole
CID 172602959
5-[5-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]thiophen-2-yl]-2H-tetrazole
CID 172603108
2-[(3-Fluoro-4-methoxyphenyl)methyl]-5-thiophen-2-yltetrazole
CID 9355630
4-[5-[5-(4-Methoxyphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide
CID 164946263
2-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)-1,3,4-thiadiazole
CID 11086491
5-[2,5-Bis(3-methoxyphenyl)thiophen-3-yl]-2-methyltetrazole
CID 11846538

Frequently Asked Questions

What is the IUPAC name of 5-[2,5-bis(4-methoxyphenyl)thiophen-3-yl]-2H-tetrazole?
The IUPAC name of 5-[2,5-bis(4-methoxyphenyl)thiophen-3-yl]-2H-tetrazole (CID 68711188) is 5-[2,5-bis(4-methoxyphenyl)thiophen-3-yl]-2H-tetrazole.
What is the SMILES notation for 5-[2,5-bis(4-methoxyphenyl)thiophen-3-yl]-2H-tetrazole?
The canonical SMILES for 5-[2,5-bis(4-methoxyphenyl)thiophen-3-yl]-2H-tetrazole is COc1ccc(-c2cc(-c3nn[nH]n3)c(-c3ccc(OC)cc3)s2)cc1.
What is the InChIKey of 5-[2,5-bis(4-methoxyphenyl)thiophen-3-yl]-2H-tetrazole?
The InChIKey is XGKFZWSYKXQMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-24-14-7-3-12(4-8-14)17-11-16(19-20-22-23-21-19)18(26-17)13-5-9-15(25-2)10-6-13/h3-11H,1-2H3,(H,20,21,22,23).
What are the key properties of 5-[2,5-bis(4-methoxyphenyl)thiophen-3-yl]-2H-tetrazole?
5-[2,5-bis(4-methoxyphenyl)thiophen-3-yl]-2H-tetrazole has a molecular weight of 364.43 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,5-bis(4-methoxyphenyl)thiophen-3-yl]-2H-tetrazole is sourced from PubChem (CID 68711188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).