1-(4-methoxyphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone

C14H12N4O2S — CID 650045

IUPAC1-(4-methoxyphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
SMILESCOc1ccc(C(=O)Cn2nnc(-c3cccs3)n2)cc1
InChIInChI=1S/C14H12N4O2S/c1-20-11-6-4-10(5-7-11)12(19)9-18-16-14(15-17-18)13-3-2-8-21-13/h2-8H,9H2,1H3
InChIKeyAAGGUCRASUJPPN-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.29
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone

1-(4-methoxyphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone (PubChem CID 650045) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
PubChem CID650045
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name1-(4-methoxyphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
SMILESCOc1ccc(C(=O)Cn2nnc(-c3cccs3)n2)cc1
InChIInChI=1S/C14H12N4O2S/c1-20-11-6-4-10(5-7-11)12(19)9-18-16-14(15-17-18)13-3-2-8-21-13/h2-8H,9H2,1H3
InChIKeyAAGGUCRASUJPPN-UHFFFAOYSA-N
XLogP2.29
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone (CID 650045) is 1-(4-methoxyphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone is COc1ccc(C(=O)Cn2nnc(-c3cccs3)n2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone?
The InChIKey is AAGGUCRASUJPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-20-11-6-4-10(5-7-11)12(19)9-18-16-14(15-17-18)13-3-2-8-21-13/h2-8H,9H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone?
1-(4-methoxyphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone has a molecular weight of 300.34 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone is sourced from PubChem (CID 650045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).