5-piperazin-1-ylthiophene-2-carbaldehyde

C9H12N2OS — CID 2463177

IUPAC5-piperazin-1-ylthiophene-2-carbaldehyde
SMILESO=Cc1ccc(N2CCNCC2)s1
InChIInChI=1S/C9H12N2OS/c12-7-8-1-2-9(13-8)11-5-3-10-4-6-11/h1-2,7,10H,3-6H2
InChIKeyHWRCNHFGKABYGW-UHFFFAOYSA-N
MW196.28 g/mol
LogP0.97
Rot. Bonds2

About 5-piperazin-1-ylthiophene-2-carbaldehyde

5-piperazin-1-ylthiophene-2-carbaldehyde (PubChem CID 2463177) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is 5-piperazin-1-ylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-piperazin-1-ylthiophene-2-carbaldehyde
PubChem CID2463177
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name5-piperazin-1-ylthiophene-2-carbaldehyde
SMILESO=Cc1ccc(N2CCNCC2)s1
InChIInChI=1S/C9H12N2OS/c12-7-8-1-2-9(13-8)11-5-3-10-4-6-11/h1-2,7,10H,3-6H2
InChIKeyHWRCNHFGKABYGW-UHFFFAOYSA-N
XLogP0.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-ylthiophene-2-carbaldehyde?
The IUPAC name of 5-piperazin-1-ylthiophene-2-carbaldehyde (CID 2463177) is 5-piperazin-1-ylthiophene-2-carbaldehyde.
What is the SMILES notation for 5-piperazin-1-ylthiophene-2-carbaldehyde?
The canonical SMILES for 5-piperazin-1-ylthiophene-2-carbaldehyde is O=Cc1ccc(N2CCNCC2)s1.
What is the InChIKey of 5-piperazin-1-ylthiophene-2-carbaldehyde?
The InChIKey is HWRCNHFGKABYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c12-7-8-1-2-9(13-8)11-5-3-10-4-6-11/h1-2,7,10H,3-6H2.
What are the key properties of 5-piperazin-1-ylthiophene-2-carbaldehyde?
5-piperazin-1-ylthiophene-2-carbaldehyde has a molecular weight of 196.28 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-ylthiophene-2-carbaldehyde is sourced from PubChem (CID 2463177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).