[(Z)-pyridin-4-ylmethylideneamino] thiophene-2-carboxylate

C11H8N2O2S — CID 5404126

IUPAC[(Z)-pyridin-4-ylmethylideneamino] thiophene-2-carboxylate
SMILESO=C(O/N=C\c1ccncc1)c1cccs1
InChIInChI=1S/C11H8N2O2S/c14-11(10-2-1-7-16-10)15-13-8-9-3-5-12-6-4-9/h1-8H/b13-8-
InChIKeyLZRYEZWIFOUZAE-JYRVWZFOSA-N
MW232.26 g/mol
LogP2.33
Rot. Bonds3

About [(Z)-pyridin-4-ylmethylideneamino] thiophene-2-carboxylate

[(Z)-pyridin-4-ylmethylideneamino] thiophene-2-carboxylate (PubChem CID 5404126) has the molecular formula C11H8N2O2S and a molecular weight of 232.26 g/mol. Its IUPAC name is [(Z)-pyridin-4-ylmethylideneamino] thiophene-2-carboxylate.

Molecular Properties

Compound Name[(Z)-pyridin-4-ylmethylideneamino] thiophene-2-carboxylate
PubChem CID5404126
Molecular FormulaC11H8N2O2S
Molecular Weight232.26 g/mol
Exact Mass232.03
IUPAC Name[(Z)-pyridin-4-ylmethylideneamino] thiophene-2-carboxylate
SMILESO=C(O/N=C\c1ccncc1)c1cccs1
InChIInChI=1S/C11H8N2O2S/c14-11(10-2-1-7-16-10)15-13-8-9-3-5-12-6-4-9/h1-8H/b13-8-
InChIKeyLZRYEZWIFOUZAE-JYRVWZFOSA-N
XLogP2.33
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

formyl thiophene-2-carboxylate
CID 22645353
ethyl 2-[[(E)-pyridin-4-ylmethylideneamino]oxycarbonylamino]acetate
CID 134118237
azane;formyl thiophene-2-carboxylate
CID 174676100
[(Z)-[amino(phenyl)methylidene]amino] thiophene-2-carboxylate
CID 5332740
[4-(thiophene-2-carbonyloxy)phenyl] thiophene-2-carboxylate
CID 811680
pyridin-4-ylmethylcarbamoyl thiophene-2-carboxylate
CID 143396040
N-(pyridin-4-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 697261
[4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate
CID 1356844
aminomethyl thiophene-2-carboxylate
CID 142796710
[4-[(Z)-benzenesulfonyliminomethyl]phenyl] thiophene-2-carboxylate
CID 110518798
[(E)-[amino-(2-chlorophenyl)methylidene]amino] thiophene-2-carboxylate
CID 6088369
3-[4-(3-oxo-3-thiophen-2-ylprop-1-enyl)phenyl]-1-thiophen-2-ylprop-2-en-1-one
CID 71356375

Frequently Asked Questions

What is the IUPAC name of [(Z)-pyridin-4-ylmethylideneamino] thiophene-2-carboxylate?
The IUPAC name of [(Z)-pyridin-4-ylmethylideneamino] thiophene-2-carboxylate (CID 5404126) is [(Z)-pyridin-4-ylmethylideneamino] thiophene-2-carboxylate.
What is the SMILES notation for [(Z)-pyridin-4-ylmethylideneamino] thiophene-2-carboxylate?
The canonical SMILES for [(Z)-pyridin-4-ylmethylideneamino] thiophene-2-carboxylate is O=C(O/N=C\c1ccncc1)c1cccs1.
What is the InChIKey of [(Z)-pyridin-4-ylmethylideneamino] thiophene-2-carboxylate?
The InChIKey is LZRYEZWIFOUZAE-JYRVWZFOSA-N. The full InChI is InChI=1S/C11H8N2O2S/c14-11(10-2-1-7-16-10)15-13-8-9-3-5-12-6-4-9/h1-8H/b13-8-.
What are the key properties of [(Z)-pyridin-4-ylmethylideneamino] thiophene-2-carboxylate?
[(Z)-pyridin-4-ylmethylideneamino] thiophene-2-carboxylate has a molecular weight of 232.26 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-pyridin-4-ylmethylideneamino] thiophene-2-carboxylate is sourced from PubChem (CID 5404126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).