N'-[2-(2-cyanophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide

C14H14N4O4S — CID 9087975

IUPACN'-[2-(2-cyanophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide
SMILESN#Cc1ccccc1OCC(=O)NNC(=O)CN1CCSC1=O
InChIInChI=1S/C14H14N4O4S/c15-7-10-3-1-2-4-11(10)22-9-13(20)17-16-12(19)8-18-5-6-23-14(18)21/h1-4H,5-6,8-9H2,(H,16,19)(H,17,20)
InChIKeyNRJKOCZCHKTHCP-UHFFFAOYSA-N
MW334.36 g/mol
LogP0.25
Rot. Bonds5

About N'-[2-(2-cyanophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide

N'-[2-(2-cyanophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide (PubChem CID 9087975) has the molecular formula C14H14N4O4S and a molecular weight of 334.36 g/mol. Its IUPAC name is N'-[2-(2-cyanophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(2-cyanophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide
PubChem CID9087975
Molecular FormulaC14H14N4O4S
Molecular Weight334.36 g/mol
Exact Mass334.07
IUPAC NameN'-[2-(2-cyanophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide
SMILESN#Cc1ccccc1OCC(=O)NNC(=O)CN1CCSC1=O
InChIInChI=1S/C14H14N4O4S/c15-7-10-3-1-2-4-11(10)22-9-13(20)17-16-12(19)8-18-5-6-23-14(18)21/h1-4H,5-6,8-9H2,(H,16,19)(H,17,20)
InChIKeyNRJKOCZCHKTHCP-UHFFFAOYSA-N
XLogP0.25
TPSA111.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-cyanophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide
CID 9085794
N'-[2-(4-fluorophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide
CID 9088553
2-(2-cyanophenoxy)-N-(thian-4-yl)acetamide
CID 115599761
N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide
CID 12841749
2-[[2-(2-cyanophenoxy)acetyl]amino]benzamide
CID 7560509
[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 9003574
N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
CID 8640098
2-(3-cyano-2-oxopropoxy)benzonitrile
CID 20617575
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352
2-(2-cyanophenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 18292317
N'-[2-(2-cyanophenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide
CID 24645668
N'-[2-(2-cyanophenoxy)acetyl]-3-(4-fluorophenyl)sulfanylpropanehydrazide
CID 25435637

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-cyanophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide?
The IUPAC name of N'-[2-(2-cyanophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide (CID 9087975) is N'-[2-(2-cyanophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide.
What is the SMILES notation for N'-[2-(2-cyanophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide?
The canonical SMILES for N'-[2-(2-cyanophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide is N#Cc1ccccc1OCC(=O)NNC(=O)CN1CCSC1=O.
What is the InChIKey of N'-[2-(2-cyanophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide?
The InChIKey is NRJKOCZCHKTHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4S/c15-7-10-3-1-2-4-11(10)22-9-13(20)17-16-12(19)8-18-5-6-23-14(18)21/h1-4H,5-6,8-9H2,(H,16,19)(H,17,20).
What are the key properties of N'-[2-(2-cyanophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide?
N'-[2-(2-cyanophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide has a molecular weight of 334.36 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-cyanophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide is sourced from PubChem (CID 9087975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).