[3-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate

C14H12N2O4S — CID 6073334

IUPAC[3-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate
SMILESCOC(=O)N/N=C\c1cccc(OC(=O)c2cccs2)c1
InChIInChI=1S/C14H12N2O4S/c1-19-14(18)16-15-9-10-4-2-5-11(8-10)20-13(17)12-6-3-7-21-12/h2-9H,1H3,(H,16,18)/b15-9-
InChIKeyGLFXIOULYQMJSS-DHDCSXOGSA-N
MW304.33 g/mol
LogP2.66
Rot. Bonds4

About [3-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate

[3-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate (PubChem CID 6073334) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is [3-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[3-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate
PubChem CID6073334
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Name[3-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate
SMILESCOC(=O)N/N=C\c1cccc(OC(=O)c2cccs2)c1
InChIInChI=1S/C14H12N2O4S/c1-19-14(18)16-15-9-10-4-2-5-11(8-10)20-13(17)12-6-3-7-21-12/h2-9H,1H3,(H,16,18)/b15-9-
InChIKeyGLFXIOULYQMJSS-DHDCSXOGSA-N
XLogP2.66
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.66
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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Frequently Asked Questions

What is the IUPAC name of [3-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate?
The IUPAC name of [3-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate (CID 6073334) is [3-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate.
What is the SMILES notation for [3-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate?
The canonical SMILES for [3-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate is COC(=O)N/N=C\c1cccc(OC(=O)c2cccs2)c1.
What is the InChIKey of [3-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate?
The InChIKey is GLFXIOULYQMJSS-DHDCSXOGSA-N. The full InChI is InChI=1S/C14H12N2O4S/c1-19-14(18)16-15-9-10-4-2-5-11(8-10)20-13(17)12-6-3-7-21-12/h2-9H,1H3,(H,16,18)/b15-9-.
What are the key properties of [3-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate?
[3-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate has a molecular weight of 304.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate is sourced from PubChem (CID 6073334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).