[4-[(E)-(dimethylhydrazinylidene)methyl]-2-methoxyphenyl] thiophene-2-carboxylate

C15H16N2O3S — CID 6905207

IUPAC[4-[(E)-(dimethylhydrazinylidene)methyl]-2-methoxyphenyl] thiophene-2-carboxylate
SMILESCOc1cc(/C=N/N(C)C)ccc1OC(=O)c1cccs1
InChIInChI=1S/C15H16N2O3S/c1-17(2)16-10-11-6-7-12(13(9-11)19-3)20-15(18)14-5-4-8-21-14/h4-10H,1-3H3/b16-10+
InChIKeyCPYKKNIUEKBWLS-MHWRWJLKSA-N
MW304.37 g/mol
LogP2.87
Rot. Bonds5

About [4-[(E)-(dimethylhydrazinylidene)methyl]-2-methoxyphenyl] thiophene-2-carboxylate

[4-[(E)-(dimethylhydrazinylidene)methyl]-2-methoxyphenyl] thiophene-2-carboxylate (PubChem CID 6905207) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is [4-[(E)-(dimethylhydrazinylidene)methyl]-2-methoxyphenyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[4-[(E)-(dimethylhydrazinylidene)methyl]-2-methoxyphenyl] thiophene-2-carboxylate
PubChem CID6905207
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name[4-[(E)-(dimethylhydrazinylidene)methyl]-2-methoxyphenyl] thiophene-2-carboxylate
SMILESCOc1cc(/C=N/N(C)C)ccc1OC(=O)c1cccs1
InChIInChI=1S/C15H16N2O3S/c1-17(2)16-10-11-6-7-12(13(9-11)19-3)20-15(18)14-5-4-8-21-14/h4-10H,1-3H3/b16-10+
InChIKeyCPYKKNIUEKBWLS-MHWRWJLKSA-N
XLogP2.87
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of [4-[(E)-(dimethylhydrazinylidene)methyl]-2-methoxyphenyl] thiophene-2-carboxylate?
The IUPAC name of [4-[(E)-(dimethylhydrazinylidene)methyl]-2-methoxyphenyl] thiophene-2-carboxylate (CID 6905207) is [4-[(E)-(dimethylhydrazinylidene)methyl]-2-methoxyphenyl] thiophene-2-carboxylate.
What is the SMILES notation for [4-[(E)-(dimethylhydrazinylidene)methyl]-2-methoxyphenyl] thiophene-2-carboxylate?
The canonical SMILES for [4-[(E)-(dimethylhydrazinylidene)methyl]-2-methoxyphenyl] thiophene-2-carboxylate is COc1cc(/C=N/N(C)C)ccc1OC(=O)c1cccs1.
What is the InChIKey of [4-[(E)-(dimethylhydrazinylidene)methyl]-2-methoxyphenyl] thiophene-2-carboxylate?
The InChIKey is CPYKKNIUEKBWLS-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-17(2)16-10-11-6-7-12(13(9-11)19-3)20-15(18)14-5-4-8-21-14/h4-10H,1-3H3/b16-10+.
What are the key properties of [4-[(E)-(dimethylhydrazinylidene)methyl]-2-methoxyphenyl] thiophene-2-carboxylate?
[4-[(E)-(dimethylhydrazinylidene)methyl]-2-methoxyphenyl] thiophene-2-carboxylate has a molecular weight of 304.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-(dimethylhydrazinylidene)methyl]-2-methoxyphenyl] thiophene-2-carboxylate is sourced from PubChem (CID 6905207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).