2-anilino-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide

C13H15N3O3S — CID 119726337

IUPAC2-anilino-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
SMILESO=C(CNc1ccccc1)NCCN1C(=O)CSC1=O
InChIInChI=1S/C13H15N3O3S/c17-11(8-15-10-4-2-1-3-5-10)14-6-7-16-12(18)9-20-13(16)19/h1-5,15H,6-9H2,(H,14,17)
InChIKeyCCLZEOKOQSROFM-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.91
Rot. Bonds6

About 2-anilino-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide

2-anilino-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide (PubChem CID 119726337) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-anilino-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-anilino-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
PubChem CID119726337
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name2-anilino-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
SMILESO=C(CNc1ccccc1)NCCN1C(=O)CSC1=O
InChIInChI=1S/C13H15N3O3S/c17-11(8-15-10-4-2-1-3-5-10)14-6-7-16-12(18)9-20-13(16)19/h1-5,15H,6-9H2,(H,14,17)
InChIKeyCCLZEOKOQSROFM-UHFFFAOYSA-N
XLogP0.91
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 63679671
2-anilino-N-[2-(azepan-1-yl)ethyl]acetamide
CID 61240014
3-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]propanamide
CID 43470811
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-quinolin-2-ylsulfanylacetamide
CID 7754845
N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]-2-phenylsulfanylacetamide
CID 2625002
2-cyano-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 22689011
1-(4-tert-butylphenyl)-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]urea
CID 108884898
2-(3,4-dichlorophenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 52717864
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 55957884
(2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 9248803
(2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 9248801
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 47806814

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide?
The IUPAC name of 2-anilino-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide (CID 119726337) is 2-anilino-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-anilino-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-anilino-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide is O=C(CNc1ccccc1)NCCN1C(=O)CSC1=O.
What is the InChIKey of 2-anilino-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide?
The InChIKey is CCLZEOKOQSROFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c17-11(8-15-10-4-2-1-3-5-10)14-6-7-16-12(18)9-20-13(16)19/h1-5,15H,6-9H2,(H,14,17).
What are the key properties of 2-anilino-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide?
2-anilino-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide has a molecular weight of 293.35 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide is sourced from PubChem (CID 119726337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).