[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-acetamido-1,3-thiazole-4-carboxylate

C11H12N4O5S — CID 46605532

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-acetamido-1,3-thiazole-4-carboxylate
SMILESCC(=O)Nc1nc(C(=O)OCC(=O)N2CCNC2=O)cs1
InChIInChI=1S/C11H12N4O5S/c1-6(16)13-10-14-7(5-21-10)9(18)20-4-8(17)15-3-2-12-11(15)19/h5H,2-4H2,1H3,(H,12,19)(H,13,14,16)
InChIKeyZQAKOQIESPCPQR-UHFFFAOYSA-N
MW312.31 g/mol
LogP-0.19
Rot. Bonds4

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-acetamido-1,3-thiazole-4-carboxylate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-acetamido-1,3-thiazole-4-carboxylate (PubChem CID 46605532) has the molecular formula C11H12N4O5S and a molecular weight of 312.31 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-acetamido-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-acetamido-1,3-thiazole-4-carboxylate
PubChem CID46605532
Molecular FormulaC11H12N4O5S
Molecular Weight312.31 g/mol
Exact Mass312.05
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-acetamido-1,3-thiazole-4-carboxylate
SMILESCC(=O)Nc1nc(C(=O)OCC(=O)N2CCNC2=O)cs1
InChIInChI=1S/C11H12N4O5S/c1-6(16)13-10-14-7(5-21-10)9(18)20-4-8(17)15-3-2-12-11(15)19/h5H,2-4H2,1H3,(H,12,19)(H,13,14,16)
InChIKeyZQAKOQIESPCPQR-UHFFFAOYSA-N
XLogP-0.19
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] pyridine-4-carboxylate
CID 7783725
1-O-methyl 2-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] benzene-1,2-dicarboxylate
CID 56505352
[2-(2-methoxyethylamino)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605351
[(1R,6R)-6-methylcyclohex-3-en-1-yl]methyl 2-acetamido-1,3-thiazole-4-carboxylate
CID 94221380
(1,3-dioxoisoindol-2-yl)methyl 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605544
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605172
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46604753
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605035
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(dimethylamino)benzoate
CID 8533602
hexa-2,4-dienyl 2-acetamido-1,3-thiazole-4-carboxylate
CID 110876881
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46604829
[1-(azepan-1-yl)-1-oxopropan-2-yl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605222

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-acetamido-1,3-thiazole-4-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-acetamido-1,3-thiazole-4-carboxylate (CID 46605532) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-acetamido-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-acetamido-1,3-thiazole-4-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-acetamido-1,3-thiazole-4-carboxylate is CC(=O)Nc1nc(C(=O)OCC(=O)N2CCNC2=O)cs1.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-acetamido-1,3-thiazole-4-carboxylate?
The InChIKey is ZQAKOQIESPCPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O5S/c1-6(16)13-10-14-7(5-21-10)9(18)20-4-8(17)15-3-2-12-11(15)19/h5H,2-4H2,1H3,(H,12,19)(H,13,14,16).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-acetamido-1,3-thiazole-4-carboxylate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-acetamido-1,3-thiazole-4-carboxylate has a molecular weight of 312.31 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-acetamido-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 46605532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).