1-(7-ethyl-1H-indol-3-yl)-2-(5-thiophen-2-yltetrazol-1-yl)ethanone

C17H15N5OS — CID 20994761

IUPAC1-(7-ethyl-1H-indol-3-yl)-2-(5-thiophen-2-yltetrazol-1-yl)ethanone
SMILESCCc1cccc2c(C(=O)Cn3nnnc3-c3cccs3)c[nH]c12
InChIInChI=1S/C17H15N5OS/c1-2-11-5-3-6-12-13(9-18-16(11)12)14(23)10-22-17(19-20-21-22)15-7-4-8-24-15/h3-9,18H,2,10H2,1H3
InChIKeyMPHGNAHYBXGVFR-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.33
Rot. Bonds5

About 1-(7-ethyl-1H-indol-3-yl)-2-(5-thiophen-2-yltetrazol-1-yl)ethanone

1-(7-ethyl-1H-indol-3-yl)-2-(5-thiophen-2-yltetrazol-1-yl)ethanone (PubChem CID 20994761) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is 1-(7-ethyl-1H-indol-3-yl)-2-(5-thiophen-2-yltetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(7-ethyl-1H-indol-3-yl)-2-(5-thiophen-2-yltetrazol-1-yl)ethanone
PubChem CID20994761
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC Name1-(7-ethyl-1H-indol-3-yl)-2-(5-thiophen-2-yltetrazol-1-yl)ethanone
SMILESCCc1cccc2c(C(=O)Cn3nnnc3-c3cccs3)c[nH]c12
InChIInChI=1S/C17H15N5OS/c1-2-11-5-3-6-12-13(9-18-16(11)12)14(23)10-22-17(19-20-21-22)15-7-4-8-24-15/h3-9,18H,2,10H2,1H3
InChIKeyMPHGNAHYBXGVFR-UHFFFAOYSA-N
XLogP3.33
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(7-ethyl-1H-indol-3-yl)-2-(5-thiophen-2-yltetrazol-1-yl)ethanone?
The IUPAC name of 1-(7-ethyl-1H-indol-3-yl)-2-(5-thiophen-2-yltetrazol-1-yl)ethanone (CID 20994761) is 1-(7-ethyl-1H-indol-3-yl)-2-(5-thiophen-2-yltetrazol-1-yl)ethanone.
What is the SMILES notation for 1-(7-ethyl-1H-indol-3-yl)-2-(5-thiophen-2-yltetrazol-1-yl)ethanone?
The canonical SMILES for 1-(7-ethyl-1H-indol-3-yl)-2-(5-thiophen-2-yltetrazol-1-yl)ethanone is CCc1cccc2c(C(=O)Cn3nnnc3-c3cccs3)c[nH]c12.
What is the InChIKey of 1-(7-ethyl-1H-indol-3-yl)-2-(5-thiophen-2-yltetrazol-1-yl)ethanone?
The InChIKey is MPHGNAHYBXGVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c1-2-11-5-3-6-12-13(9-18-16(11)12)14(23)10-22-17(19-20-21-22)15-7-4-8-24-15/h3-9,18H,2,10H2,1H3.
What are the key properties of 1-(7-ethyl-1H-indol-3-yl)-2-(5-thiophen-2-yltetrazol-1-yl)ethanone?
1-(7-ethyl-1H-indol-3-yl)-2-(5-thiophen-2-yltetrazol-1-yl)ethanone has a molecular weight of 337.41 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethyl-1H-indol-3-yl)-2-(5-thiophen-2-yltetrazol-1-yl)ethanone is sourced from PubChem (CID 20994761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).