1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone

C16H16N6O3S — CID 8011376

IUPAC1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
SMILESO=C(Cn1nnc(-c2cccs2)n1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H16N6O3S/c23-14(11-22-18-15(17-19-22)13-4-2-10-26-13)20-5-7-21(8-6-20)16(24)12-3-1-9-25-12/h1-4,9-10H,5-8,11H2
InChIKeyPGBJWEFYZGWGAL-UHFFFAOYSA-N
MW372.41 g/mol
LogP0.98
Rot. Bonds4

About 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone (PubChem CID 8011376) has the molecular formula C16H16N6O3S and a molecular weight of 372.41 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
PubChem CID8011376
Molecular FormulaC16H16N6O3S
Molecular Weight372.41 g/mol
Exact Mass372.10
IUPAC Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
SMILESO=C(Cn1nnc(-c2cccs2)n1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H16N6O3S/c23-14(11-22-18-15(17-19-22)13-4-2-10-26-13)20-5-7-21(8-6-20)16(24)12-3-1-9-25-12/h1-4,9-10H,5-8,11H2
InChIKeyPGBJWEFYZGWGAL-UHFFFAOYSA-N
XLogP0.98
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone?
The IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone (CID 8011376) is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone.
What is the SMILES notation for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone?
The canonical SMILES for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone is O=C(Cn1nnc(-c2cccs2)n1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone?
The InChIKey is PGBJWEFYZGWGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3S/c23-14(11-22-18-15(17-19-22)13-4-2-10-26-13)20-5-7-21(8-6-20)16(24)12-3-1-9-25-12/h1-4,9-10H,5-8,11H2.
What are the key properties of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone?
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone has a molecular weight of 372.41 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone is sourced from PubChem (CID 8011376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).