5-[2,5-bis(3-methoxyphenyl)thiophen-3-yl]-2-methyltetrazole

C20H18N4O2S — CID 11846538

IUPAC5-[2,5-bis(3-methoxyphenyl)thiophen-3-yl]-2-methyltetrazole
SMILESCOc1cccc(-c2cc(-c3nnn(C)n3)c(-c3cccc(OC)c3)s2)c1
InChIInChI=1S/C20H18N4O2S/c1-24-22-20(21-23-24)17-12-18(13-6-4-8-15(10-13)25-2)27-19(17)14-7-5-9-16(11-14)26-3/h4-12H,1-3H3
InChIKeyHIYMQCZLBQGIRR-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.29
Rot. Bonds5

About 5-[2,5-bis(3-methoxyphenyl)thiophen-3-yl]-2-methyltetrazole

5-[2,5-bis(3-methoxyphenyl)thiophen-3-yl]-2-methyltetrazole (PubChem CID 11846538) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 5-[2,5-bis(3-methoxyphenyl)thiophen-3-yl]-2-methyltetrazole.

Molecular Properties

Compound Name5-[2,5-bis(3-methoxyphenyl)thiophen-3-yl]-2-methyltetrazole
PubChem CID11846538
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name5-[2,5-bis(3-methoxyphenyl)thiophen-3-yl]-2-methyltetrazole
SMILESCOc1cccc(-c2cc(-c3nnn(C)n3)c(-c3cccc(OC)c3)s2)c1
InChIInChI=1S/C20H18N4O2S/c1-24-22-20(21-23-24)17-12-18(13-6-4-8-15(10-13)25-2)27-19(17)14-7-5-9-16(11-14)26-3/h4-12H,1-3H3
InChIKeyHIYMQCZLBQGIRR-UHFFFAOYSA-N
XLogP4.29
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2,5-bis(3-methoxyphenyl)thiophen-3-yl]-2-methyltetrazole?
The IUPAC name of 5-[2,5-bis(3-methoxyphenyl)thiophen-3-yl]-2-methyltetrazole (CID 11846538) is 5-[2,5-bis(3-methoxyphenyl)thiophen-3-yl]-2-methyltetrazole.
What is the SMILES notation for 5-[2,5-bis(3-methoxyphenyl)thiophen-3-yl]-2-methyltetrazole?
The canonical SMILES for 5-[2,5-bis(3-methoxyphenyl)thiophen-3-yl]-2-methyltetrazole is COc1cccc(-c2cc(-c3nnn(C)n3)c(-c3cccc(OC)c3)s2)c1.
What is the InChIKey of 5-[2,5-bis(3-methoxyphenyl)thiophen-3-yl]-2-methyltetrazole?
The InChIKey is HIYMQCZLBQGIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-24-22-20(21-23-24)17-12-18(13-6-4-8-15(10-13)25-2)27-19(17)14-7-5-9-16(11-14)26-3/h4-12H,1-3H3.
What are the key properties of 5-[2,5-bis(3-methoxyphenyl)thiophen-3-yl]-2-methyltetrazole?
5-[2,5-bis(3-methoxyphenyl)thiophen-3-yl]-2-methyltetrazole has a molecular weight of 378.46 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,5-bis(3-methoxyphenyl)thiophen-3-yl]-2-methyltetrazole is sourced from PubChem (CID 11846538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).