2-diazenyl-1,3-thiazole-5-carbaldehyde

C4H3N3OS — CID 54254425

IUPAC2-diazenyl-1,3-thiazole-5-carbaldehyde
SMILES[H]/N=N/c1ncc(C=O)s1
InChIInChI=1S/C4H3N3OS/c5-7-4-6-1-3(2-8)9-4/h1-2,5H/b7-5+
InChIKeyQZQSEBVGBRMGSR-FNORWQNLSA-N
MW141.16 g/mol
LogP1.62
Rot. Bonds2

About 2-diazenyl-1,3-thiazole-5-carbaldehyde

2-diazenyl-1,3-thiazole-5-carbaldehyde (PubChem CID 54254425) has the molecular formula C4H3N3OS and a molecular weight of 141.16 g/mol. Its IUPAC name is 2-diazenyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-diazenyl-1,3-thiazole-5-carbaldehyde
PubChem CID54254425
Molecular FormulaC4H3N3OS
Molecular Weight141.16 g/mol
Exact Mass141.00
IUPAC Name2-diazenyl-1,3-thiazole-5-carbaldehyde
SMILES[H]/N=N/c1ncc(C=O)s1
InChIInChI=1S/C4H3N3OS/c5-7-4-6-1-3(2-8)9-4/h1-2,5H/b7-5+
InChIKeyQZQSEBVGBRMGSR-FNORWQNLSA-N
XLogP1.62
TPSA66.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.16
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-diazenyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-diazenyl-1,3-thiazole-5-carbaldehyde (CID 54254425) is 2-diazenyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-diazenyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-diazenyl-1,3-thiazole-5-carbaldehyde is [H]/N=N/c1ncc(C=O)s1.
What is the InChIKey of 2-diazenyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is QZQSEBVGBRMGSR-FNORWQNLSA-N. The full InChI is InChI=1S/C4H3N3OS/c5-7-4-6-1-3(2-8)9-4/h1-2,5H/b7-5+.
What are the key properties of 2-diazenyl-1,3-thiazole-5-carbaldehyde?
2-diazenyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 141.16 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazenyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 54254425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).