(5Z)-3-(2-methoxyethyl)-2-methylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one

C12H14N2O2S — CID 123159673

IUPAC(5Z)-3-(2-methoxyethyl)-2-methylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
SMILESC=c1[nH]/c(=C\c2cccs2)c(=O)n1CCOC
InChIInChI=1S/C12H14N2O2S/c1-9-13-11(8-10-4-3-7-17-10)12(15)14(9)5-6-16-2/h3-4,7-8,13H,1,5-6H2,2H3/b11-8-
InChIKeyDHWQILGWOREOIX-FLIBITNWSA-N
MW250.32 g/mol
LogP0.12
Rot. Bonds4

About (5Z)-3-(2-methoxyethyl)-2-methylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one

(5Z)-3-(2-methoxyethyl)-2-methylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one (PubChem CID 123159673) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is (5Z)-3-(2-methoxyethyl)-2-methylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(2-methoxyethyl)-2-methylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
PubChem CID123159673
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name(5Z)-3-(2-methoxyethyl)-2-methylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
SMILESC=c1[nH]/c(=C\c2cccs2)c(=O)n1CCOC
InChIInChI=1S/C12H14N2O2S/c1-9-13-11(8-10-4-3-7-17-10)12(15)14(9)5-6-16-2/h3-4,7-8,13H,1,5-6H2,2H3/b11-8-
InChIKeyDHWQILGWOREOIX-FLIBITNWSA-N
XLogP0.12
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
3-Ethyl-5-[(5-ethylthien-2-yl)methylene]-1-methyl-2-thioxoimidazolidin-4-one
CID 900275
5-(2-Thienylmethylene)-2,4-imidazolidinedione
CID 6508822
3-Cyclopropyl-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 1798503
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
1-[(E)-3-thiophen-2-ylprop-2-enoyl]imidazolidin-2-one
CID 162648993
(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one
CID 6020297
3-(4-Morpholinylmethyl)-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 5469471

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(2-methoxyethyl)-2-methylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
The IUPAC name of (5Z)-3-(2-methoxyethyl)-2-methylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one (CID 123159673) is (5Z)-3-(2-methoxyethyl)-2-methylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one.
What is the SMILES notation for (5Z)-3-(2-methoxyethyl)-2-methylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
The canonical SMILES for (5Z)-3-(2-methoxyethyl)-2-methylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one is C=c1[nH]/c(=C\c2cccs2)c(=O)n1CCOC.
What is the InChIKey of (5Z)-3-(2-methoxyethyl)-2-methylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
The InChIKey is DHWQILGWOREOIX-FLIBITNWSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-9-13-11(8-10-4-3-7-17-10)12(15)14(9)5-6-16-2/h3-4,7-8,13H,1,5-6H2,2H3/b11-8-.
What are the key properties of (5Z)-3-(2-methoxyethyl)-2-methylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
(5Z)-3-(2-methoxyethyl)-2-methylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one has a molecular weight of 250.32 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2-methoxyethyl)-2-methylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one is sourced from PubChem (CID 123159673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).