ethyl 2-[2-(2,4-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetate

C10H11N3O4S — CID 3060455

IUPACethyl 2-[2-(2,4-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N2CC(=O)NC2=O)n1
InChIInChI=1S/C10H11N3O4S/c1-2-17-8(15)3-6-5-18-10(11-6)13-4-7(14)12-9(13)16/h5H,2-4H2,1H3,(H,12,14,16)
InChIKeyYRIKKDPGRHHEBM-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.30
Rot. Bonds4

About ethyl 2-[2-(2,4-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(2,4-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetate (PubChem CID 3060455) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is ethyl 2-[2-(2,4-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2,4-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetate
PubChem CID3060455
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Nameethyl 2-[2-(2,4-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N2CC(=O)NC2=O)n1
InChIInChI=1S/C10H11N3O4S/c1-2-17-8(15)3-6-5-18-10(11-6)13-4-7(14)12-9(13)16/h5H,2-4H2,1H3,(H,12,14,16)
InChIKeyYRIKKDPGRHHEBM-UHFFFAOYSA-N
XLogP0.30
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2,4-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(2,4-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetate (CID 3060455) is ethyl 2-[2-(2,4-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(2,4-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(2,4-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(N2CC(=O)NC2=O)n1.
What is the InChIKey of ethyl 2-[2-(2,4-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetate?
The InChIKey is YRIKKDPGRHHEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c1-2-17-8(15)3-6-5-18-10(11-6)13-4-7(14)12-9(13)16/h5H,2-4H2,1H3,(H,12,14,16).
What are the key properties of ethyl 2-[2-(2,4-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(2,4-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetate has a molecular weight of 269.28 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2,4-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 3060455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).