ethyl 2-[2-methoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]pyridine-4-carboxylate

C19H18N4O5S — CID 168575735

IUPACethyl 2-[2-methoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(Oc2ccc(C=NN=C3NC(=O)CS3)cc2OC)c1
InChIInChI=1S/C19H18N4O5S/c1-3-27-18(25)13-6-7-20-17(9-13)28-14-5-4-12(8-15(14)26-2)10-21-23-19-22-16(24)11-29-19/h4-10H,3,11H2,1-2H3,(H,22,23,24)
InChIKeyQBJCUHPSLPLASQ-UHFFFAOYSA-N
MW414.44 g/mol
LogP2.61
Rot. Bonds7

About ethyl 2-[2-methoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]pyridine-4-carboxylate

ethyl 2-[2-methoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]pyridine-4-carboxylate (PubChem CID 168575735) has the molecular formula C19H18N4O5S and a molecular weight of 414.44 g/mol. Its IUPAC name is ethyl 2-[2-methoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-methoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]pyridine-4-carboxylate
PubChem CID168575735
Molecular FormulaC19H18N4O5S
Molecular Weight414.44 g/mol
Exact Mass414.10
IUPAC Nameethyl 2-[2-methoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(Oc2ccc(C=NN=C3NC(=O)CS3)cc2OC)c1
InChIInChI=1S/C19H18N4O5S/c1-3-27-18(25)13-6-7-20-17(9-13)28-14-5-4-12(8-15(14)26-2)10-21-23-19-22-16(24)11-29-19/h4-10H,3,11H2,1-2H3,(H,22,23,24)
InChIKeyQBJCUHPSLPLASQ-UHFFFAOYSA-N
XLogP2.61
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze ethyl 2-[2-methoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]pyridine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-[(Z)-(3-ethoxy-4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136663997
(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135454338
2-[2-methoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]ethyl acetate
CID 168576098
[2-methoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl] benzoate
CID 168575839
[2-methoxy-4-[(Z)-[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl] benzoate
CID 135905962
2-[(3-methoxy-4-prop-2-enoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576322
4-[[2-methoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 168576566
2-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576314
[2-methoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl] 2-methoxybenzoate
CID 135457179
2-[(3-methoxy-4-propan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573975
ethyl 2-[2-iodo-6-methoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]acetate
CID 168575510
[2-methoxy-5-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl]methyl acetate
CID 168573950

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-methoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-[2-methoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]pyridine-4-carboxylate (CID 168575735) is ethyl 2-[2-methoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-[2-methoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-[2-methoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]pyridine-4-carboxylate is CCOC(=O)c1ccnc(Oc2ccc(C=NN=C3NC(=O)CS3)cc2OC)c1.
What is the InChIKey of ethyl 2-[2-methoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]pyridine-4-carboxylate?
The InChIKey is QBJCUHPSLPLASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5S/c1-3-27-18(25)13-6-7-20-17(9-13)28-14-5-4-12(8-15(14)26-2)10-21-23-19-22-16(24)11-29-19/h4-10H,3,11H2,1-2H3,(H,22,23,24).
What are the key properties of ethyl 2-[2-methoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]pyridine-4-carboxylate?
ethyl 2-[2-methoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]pyridine-4-carboxylate has a molecular weight of 414.44 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]pyridine-4-carboxylate is sourced from PubChem (CID 168575735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).