ethyl 2-(2-formylhydrazinyl)-1,3-thiazole-4-carboxylate

C7H9N3O3S — CID 2718854

IUPACethyl 2-(2-formylhydrazinyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NNC=O)n1
InChIInChI=1S/C7H9N3O3S/c1-2-13-6(12)5-3-14-7(9-5)10-8-4-11/h3-4H,2H2,1H3,(H,8,11)(H,9,10)
InChIKeyJPYKVFHHQVGDDB-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.39
Rot. Bonds5

About ethyl 2-(2-formylhydrazinyl)-1,3-thiazole-4-carboxylate

ethyl 2-(2-formylhydrazinyl)-1,3-thiazole-4-carboxylate (PubChem CID 2718854) has the molecular formula C7H9N3O3S and a molecular weight of 215.23 g/mol. Its IUPAC name is ethyl 2-(2-formylhydrazinyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-formylhydrazinyl)-1,3-thiazole-4-carboxylate
PubChem CID2718854
Molecular FormulaC7H9N3O3S
Molecular Weight215.23 g/mol
Exact Mass215.04
IUPAC Nameethyl 2-(2-formylhydrazinyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NNC=O)n1
InChIInChI=1S/C7H9N3O3S/c1-2-13-6(12)5-3-14-7(9-5)10-8-4-11/h3-4H,2H2,1H3,(H,8,11)(H,9,10)
InChIKeyJPYKVFHHQVGDDB-UHFFFAOYSA-N
XLogP0.39
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-formylhydrazinyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(2-formylhydrazinyl)-1,3-thiazole-4-carboxylate (CID 2718854) is ethyl 2-(2-formylhydrazinyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2-formylhydrazinyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2-formylhydrazinyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NNC=O)n1.
What is the InChIKey of ethyl 2-(2-formylhydrazinyl)-1,3-thiazole-4-carboxylate?
The InChIKey is JPYKVFHHQVGDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3S/c1-2-13-6(12)5-3-14-7(9-5)10-8-4-11/h3-4H,2H2,1H3,(H,8,11)(H,9,10).
What are the key properties of ethyl 2-(2-formylhydrazinyl)-1,3-thiazole-4-carboxylate?
ethyl 2-(2-formylhydrazinyl)-1,3-thiazole-4-carboxylate has a molecular weight of 215.23 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-formylhydrazinyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 2718854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).