ethyl 2-[(4Z)-2-methylidene-5-oxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate

C13H14N2O3S — CID 123728499

IUPACethyl 2-[(4Z)-2-methylidene-5-oxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate
SMILESC=c1[nH]/c(=C\c2cccs2)c(=O)n1CC(=O)OCC
InChIInChI=1S/C13H14N2O3S/c1-3-18-12(16)8-15-9(2)14-11(13(15)17)7-10-5-4-6-19-10/h4-7,14H,2-3,8H2,1H3/b11-7-
InChIKeyKKXSVARQCMKPCH-XFFZJAGNSA-N
MW278.33 g/mol
LogP0.04
Rot. Bonds4

About ethyl 2-[(4Z)-2-methylidene-5-oxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate

ethyl 2-[(4Z)-2-methylidene-5-oxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate (PubChem CID 123728499) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is ethyl 2-[(4Z)-2-methylidene-5-oxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(4Z)-2-methylidene-5-oxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate
PubChem CID123728499
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Nameethyl 2-[(4Z)-2-methylidene-5-oxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate
SMILESC=c1[nH]/c(=C\c2cccs2)c(=O)n1CC(=O)OCC
InChIInChI=1S/C13H14N2O3S/c1-3-18-12(16)8-15-9(2)14-11(13(15)17)7-10-5-4-6-19-10/h4-7,14H,2-3,8H2,1H3/b11-7-
InChIKeyKKXSVARQCMKPCH-XFFZJAGNSA-N
XLogP0.04
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(4Z)-2-methylidene-5-oxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate with MolForge

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Related Compounds

3-Ethyl-1-methyl-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 2181114
(5Z)-3-ethyl-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 5400728
Methyl {5-[(5-ethyl-2-thienyl)methylene]-3-methyl-4-oxo-2-thioxo-1-imidazolidinyl}acetate
CID 753448
5-[(5-Methyl-2-thienyl)methylene]-3-propyl-2-thioxo-4-imidazolidinone
CID 5400801
3-Isobutyl-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 5411556
Methyl [3-methyl-4-oxo-5-(2-thienylmethylene)-2-thioxo-1-imidazolidinyl]acetate
CID 2190820
Ethyl 2-[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]acetate
CID 177378743
3-(4-Morpholinylmethyl)-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 5469471
2-(4-Morpholinyl)-5-(2-thienylmethylene)-3,5-dihydro-4H-imidazol-4-one
CID 135493955
3-Ethyl-5-[(5-methyl-2-thiophenyl)methylidene]-2-sulfanylidene-4-imidazolidinone
CID 750938
methyl (3R)-6-(methylamino)-5-oxo-8-thiophen-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
CID 134973922
(5E)-3-ethyl-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 2585706

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4Z)-2-methylidene-5-oxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate?
The IUPAC name of ethyl 2-[(4Z)-2-methylidene-5-oxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate (CID 123728499) is ethyl 2-[(4Z)-2-methylidene-5-oxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[(4Z)-2-methylidene-5-oxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[(4Z)-2-methylidene-5-oxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate is C=c1[nH]/c(=C\c2cccs2)c(=O)n1CC(=O)OCC.
What is the InChIKey of ethyl 2-[(4Z)-2-methylidene-5-oxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate?
The InChIKey is KKXSVARQCMKPCH-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-3-18-12(16)8-15-9(2)14-11(13(15)17)7-10-5-4-6-19-10/h4-7,14H,2-3,8H2,1H3/b11-7-.
What are the key properties of ethyl 2-[(4Z)-2-methylidene-5-oxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate?
ethyl 2-[(4Z)-2-methylidene-5-oxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate has a molecular weight of 278.33 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4Z)-2-methylidene-5-oxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate is sourced from PubChem (CID 123728499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).