N'-[2-(4-cyanophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide

C14H14N4O4S — CID 9085794

IUPACN'-[2-(4-cyanophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide
SMILESN#Cc1ccc(OCC(=O)NNC(=O)CN2CCSC2=O)cc1
InChIInChI=1S/C14H14N4O4S/c15-7-10-1-3-11(4-2-10)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)
InChIKeySGSVZRHJVKJYRK-UHFFFAOYSA-N
MW334.36 g/mol
LogP0.25
Rot. Bonds5

About N'-[2-(4-cyanophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide

N'-[2-(4-cyanophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide (PubChem CID 9085794) has the molecular formula C14H14N4O4S and a molecular weight of 334.36 g/mol. Its IUPAC name is N'-[2-(4-cyanophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-cyanophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide
PubChem CID9085794
Molecular FormulaC14H14N4O4S
Molecular Weight334.36 g/mol
Exact Mass334.07
IUPAC NameN'-[2-(4-cyanophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide
SMILESN#Cc1ccc(OCC(=O)NNC(=O)CN2CCSC2=O)cc1
InChIInChI=1S/C14H14N4O4S/c15-7-10-1-3-11(4-2-10)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)
InChIKeySGSVZRHJVKJYRK-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-fluorophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide
CID 9088553
N'-[2-(2-cyanophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide
CID 9087975
4-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]benzonitrile
CID 62025641
N'-[2-(4-cyanophenoxy)acetyl]-2-methylpropanehydrazide
CID 24672619
2-(1-adamantyl)-N'-[2-(4-cyanophenoxy)acetyl]acetohydrazide
CID 7917946
ethyl N-[[2-(4-cyanophenoxy)acetyl]amino]carbamate
CID 7978445
N'-[2-(4-cyanophenoxy)acetyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide
CID 18159222
N-[2-(methylamino)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 119504103
2-(4-cyanophenoxy)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide
CID 94799999
N'-[2-(4-cyanophenoxy)acetyl]-4-(1,3-dioxoisoindol-2-yl)butanehydrazide
CID 2372181
2-(1-adamantyl)-N'-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]acetohydrazide
CID 9086058
2-[4-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 38263518

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-cyanophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide?
The IUPAC name of N'-[2-(4-cyanophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide (CID 9085794) is N'-[2-(4-cyanophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide.
What is the SMILES notation for N'-[2-(4-cyanophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide?
The canonical SMILES for N'-[2-(4-cyanophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide is N#Cc1ccc(OCC(=O)NNC(=O)CN2CCSC2=O)cc1.
What is the InChIKey of N'-[2-(4-cyanophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide?
The InChIKey is SGSVZRHJVKJYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4S/c15-7-10-1-3-11(4-2-10)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-(4-cyanophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide?
N'-[2-(4-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-(4-cyanophenoxy)acetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide is sourced from PubChem (CID 9085794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).