[4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate

C18H13N3O3S — CID 1356844

IUPAC[4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate
SMILESO=C(NN=Cc1ccc(OC(=O)c2cccs2)cc1)c1ccccn1
InChIInChI=1S/C18H13N3O3S/c22-17(15-4-1-2-10-19-15)21-20-12-13-6-8-14(9-7-13)24-18(23)16-5-3-11-25-16/h1-12H,(H,21,22)
InChIKeyWQSAYGRDJIQWIX-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.13
Rot. Bonds5

About [4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate

[4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate (PubChem CID 1356844) has the molecular formula C18H13N3O3S and a molecular weight of 351.39 g/mol. Its IUPAC name is [4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate
PubChem CID1356844
Molecular FormulaC18H13N3O3S
Molecular Weight351.39 g/mol
Exact Mass351.07
IUPAC Name[4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate
SMILESO=C(NN=Cc1ccc(OC(=O)c2cccs2)cc1)c1ccccn1
InChIInChI=1S/C18H13N3O3S/c22-17(15-4-1-2-10-19-15)21-20-12-13-6-8-14(9-7-13)24-18(23)16-5-3-11-25-16/h1-12H,(H,21,22)
InChIKeyWQSAYGRDJIQWIX-UHFFFAOYSA-N
XLogP3.13
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 110509291
[2-ethoxy-4-[(E)-(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate
CID 5340882
[4-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 6083944
[4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate
CID 1369263
N-(thiophen-2-ylmethylideneamino)pyridine-2-carboxamide
CID 760257
[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate
CID 3639611
[4-[(E)-[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 110506028
[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 4-methylbenzoate
CID 4135348
[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 4-bromobenzoate
CID 5083790
N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide
CID 6879061
[4-[(Z)-[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 6272283
[4-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 5108375

Frequently Asked Questions

What is the IUPAC name of [4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate?
The IUPAC name of [4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate (CID 1356844) is [4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate.
What is the SMILES notation for [4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate?
The canonical SMILES for [4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate is O=C(NN=Cc1ccc(OC(=O)c2cccs2)cc1)c1ccccn1.
What is the InChIKey of [4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate?
The InChIKey is WQSAYGRDJIQWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S/c22-17(15-4-1-2-10-19-15)21-20-12-13-6-8-14(9-7-13)24-18(23)16-5-3-11-25-16/h1-12H,(H,21,22).
What are the key properties of [4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate?
[4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate has a molecular weight of 351.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate is sourced from PubChem (CID 1356844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).