2-[2-ethoxy-6-iodo-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]acetamide

C14H15IN4O4S — CID 168575493

IUPAC2-[2-ethoxy-6-iodo-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]acetamide
SMILESCCOc1cc(C=NN=C2NC(=O)CS2)cc(I)c1OCC(N)=O
InChIInChI=1S/C14H15IN4O4S/c1-2-22-10-4-8(3-9(15)13(10)23-6-11(16)20)5-17-19-14-18-12(21)7-24-14/h3-5H,2,6-7H2,1H3,(H2,16,20)(H,18,19,21)
InChIKeyKXRCEFSCXUDCRT-UHFFFAOYSA-N
MW462.27 g/mol
LogP1.11
Rot. Bonds7

About 2-[2-ethoxy-6-iodo-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]acetamide

2-[2-ethoxy-6-iodo-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]acetamide (PubChem CID 168575493) has the molecular formula C14H15IN4O4S and a molecular weight of 462.27 g/mol. Its IUPAC name is 2-[2-ethoxy-6-iodo-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-ethoxy-6-iodo-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]acetamide
PubChem CID168575493
Molecular FormulaC14H15IN4O4S
Molecular Weight462.27 g/mol
Exact Mass461.99
IUPAC Name2-[2-ethoxy-6-iodo-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]acetamide
SMILESCCOc1cc(C=NN=C2NC(=O)CS2)cc(I)c1OCC(N)=O
InChIInChI=1S/C14H15IN4O4S/c1-2-22-10-4-8(3-9(15)13(10)23-6-11(16)20)5-17-19-14-18-12(21)7-24-14/h3-5H,2,6-7H2,1H3,(H2,16,20)(H,18,19,21)
InChIKeyKXRCEFSCXUDCRT-UHFFFAOYSA-N
XLogP1.11
TPSA115.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-iodo-6-methoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]acetate
CID 168575510
2-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135399232
ethyl 2-[2-bromo-6-ethoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]acetate
CID 168575566
2-[(Z)-(3-ethoxy-4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136663997
2-[5-chloro-2-ethoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]acetamide
CID 168575436
2-[2,6-dimethoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]acetic acid
CID 168576111
2-[(4-ethoxy-3,5-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575997
2-[(3,5-diethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575366
2-[2-ethoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]-N-(4-ethoxyphenyl)acetamide
CID 168575402
(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-ethoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 168575824

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-6-iodo-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-ethoxy-6-iodo-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]acetamide (CID 168575493) is 2-[2-ethoxy-6-iodo-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-ethoxy-6-iodo-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-ethoxy-6-iodo-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]acetamide is CCOc1cc(C=NN=C2NC(=O)CS2)cc(I)c1OCC(N)=O.
What is the InChIKey of 2-[2-ethoxy-6-iodo-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]acetamide?
The InChIKey is KXRCEFSCXUDCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN4O4S/c1-2-22-10-4-8(3-9(15)13(10)23-6-11(16)20)5-17-19-14-18-12(21)7-24-14/h3-5H,2,6-7H2,1H3,(H2,16,20)(H,18,19,21).
What are the key properties of 2-[2-ethoxy-6-iodo-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]acetamide?
2-[2-ethoxy-6-iodo-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]acetamide has a molecular weight of 462.27 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-6-iodo-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]acetamide is sourced from PubChem (CID 168575493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).