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

C13H17N3O4S — CID 108516871

IUPACN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N',N'-bis(prop-2-enyl)oxamide
SMILESC=CCN(CC=C)C(=O)C(=O)NCCN1C(=O)CSC1=O
InChIInChI=1S/C13H17N3O4S/c1-3-6-15(7-4-2)12(19)11(18)14-5-8-16-10(17)9-21-13(16)20/h3-4H,1-2,5-9H2,(H,14,18)
InChIKeyMJBQYLQYDCABAN-UHFFFAOYSA-N
MW311.36 g/mol
LogP-0.00
Rot. Bonds7

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

N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N',N'-bis(prop-2-enyl)oxamide (PubChem CID 108516871) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N',N'-bis(prop-2-enyl)oxamide.

Molecular Properties

Compound NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N',N'-bis(prop-2-enyl)oxamide
PubChem CID108516871
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N',N'-bis(prop-2-enyl)oxamide
SMILESC=CCN(CC=C)C(=O)C(=O)NCCN1C(=O)CSC1=O
InChIInChI=1S/C13H17N3O4S/c1-3-6-15(7-4-2)12(19)11(18)14-5-8-16-10(17)9-21-13(16)20/h3-4H,1-2,5-9H2,(H,14,18)
InChIKeyMJBQYLQYDCABAN-UHFFFAOYSA-N
XLogP-0.00
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(propan-2-ylsulfanylmethylamino)-N-prop-2-enylacetamide
CID 88275290
N-prop-2-enyl-2-[[(Z)-prop-1-enyl]sulfanylmethylamino]acetamide
CID 88275293
S-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]ethyl]amino]ethyl] ethanethioate;propane
CID 145400819
2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-prop-2-enylacetamide
CID 17033523
5-Amino-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 22331949
N,N-bis(prop-2-enyl)-1,3-thiazolidine-4-carboxamide
CID 24702051
(4S)-N,N-bis(prop-2-enyl)-1,3-thiazolidine-4-carboxamide
CID 28198356
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]prop-2-enamide
CID 43616685
N-(2-bromoprop-2-enyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 47439081
2-(4-oxo-1,3-thiazolidin-3-yl)-N-prop-2-enylacetamide
CID 60667712
N-propan-2-yl-N-prop-2-enyl-1,3-thiazolidine-4-carboxamide
CID 60946757
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]but-2-enamide
CID 78969263

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N',N'-bis(prop-2-enyl)oxamide?
The IUPAC name of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N',N'-bis(prop-2-enyl)oxamide (CID 108516871) is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N',N'-bis(prop-2-enyl)oxamide.
What is the SMILES notation for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N',N'-bis(prop-2-enyl)oxamide?
The canonical SMILES for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N',N'-bis(prop-2-enyl)oxamide is C=CCN(CC=C)C(=O)C(=O)NCCN1C(=O)CSC1=O.
What is the InChIKey of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N',N'-bis(prop-2-enyl)oxamide?
The InChIKey is MJBQYLQYDCABAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-3-6-15(7-4-2)12(19)11(18)14-5-8-16-10(17)9-21-13(16)20/h3-4H,1-2,5-9H2,(H,14,18).
What are the key properties of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N',N'-bis(prop-2-enyl)oxamide?
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N',N'-bis(prop-2-enyl)oxamide has a molecular weight of 311.36 g/mol, XLogP of -0.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N',N'-bis(prop-2-enyl)oxamide is sourced from PubChem (CID 108516871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).