N'-(4-cyanophenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide

C14H12N4O4S — CID 108519543

IUPACN'-(4-cyanophenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
SMILESN#Cc1ccc(NC(=O)C(=O)NCCN2C(=O)CSC2=O)cc1
InChIInChI=1S/C14H12N4O4S/c15-7-9-1-3-10(4-2-9)17-13(21)12(20)16-5-6-18-11(19)8-23-14(18)22/h1-4H,5-6,8H2,(H,16,20)(H,17,21)
InChIKeyTXTXDXFSKNCZQC-UHFFFAOYSA-N
MW332.34 g/mol
LogP0.31
Rot. Bonds4

About N'-(4-cyanophenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide

N'-(4-cyanophenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide (PubChem CID 108519543) has the molecular formula C14H12N4O4S and a molecular weight of 332.34 g/mol. Its IUPAC name is N'-(4-cyanophenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-cyanophenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
PubChem CID108519543
Molecular FormulaC14H12N4O4S
Molecular Weight332.34 g/mol
Exact Mass332.06
IUPAC NameN'-(4-cyanophenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
SMILESN#Cc1ccc(NC(=O)C(=O)NCCN2C(=O)CSC2=O)cc1
InChIInChI=1S/C14H12N4O4S/c15-7-9-1-3-10(4-2-9)17-13(21)12(20)16-5-6-18-11(19)8-23-14(18)22/h1-4H,5-6,8H2,(H,16,20)(H,17,21)
InChIKeyTXTXDXFSKNCZQC-UHFFFAOYSA-N
XLogP0.31
TPSA119.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoacetyl]amino]benzoate
CID 108528193
N'-[4-(diethylamino)phenyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108530630
4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methylamino]benzonitrile
CID 3141057
N'-(2,6-difluorophenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108522144
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(3-methylsulfanylphenyl)oxamide
CID 108520190
1-(4-tert-butylphenyl)-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]urea
CID 108884898
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(2-propan-2-ylphenyl)oxamide
CID 108500644
2-cyano-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 22689011
N'-(2,5-dimethoxyphenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108512004
N'-[(4-chlorophenyl)methyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108507812
N'-(2-chloro-3-pyridinyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108520506
N'-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 108519474

Frequently Asked Questions

What is the IUPAC name of N'-(4-cyanophenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide?
The IUPAC name of N'-(4-cyanophenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide (CID 108519543) is N'-(4-cyanophenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide.
What is the SMILES notation for N'-(4-cyanophenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide?
The canonical SMILES for N'-(4-cyanophenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide is N#Cc1ccc(NC(=O)C(=O)NCCN2C(=O)CSC2=O)cc1.
What is the InChIKey of N'-(4-cyanophenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide?
The InChIKey is TXTXDXFSKNCZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O4S/c15-7-9-1-3-10(4-2-9)17-13(21)12(20)16-5-6-18-11(19)8-23-14(18)22/h1-4H,5-6,8H2,(H,16,20)(H,17,21).
What are the key properties of N'-(4-cyanophenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide?
N'-(4-cyanophenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide has a molecular weight of 332.34 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyanophenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide is sourced from PubChem (CID 108519543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).