methyl 2-[(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetate

C19H18N2O3S2 — CID 1307500

IUPACmethyl 2-[(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetate
SMILESCCc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2CC(=O)OC)s1
InChIInChI=1S/C19H18N2O3S2/c1-3-14-9-10-15(26-14)11-16-18(23)21(13-7-5-4-6-8-13)19(25)20(16)12-17(22)24-2/h4-11H,3,12H2,1-2H3/b16-11-
InChIKeyDHOGGGWUUQGXQR-WJDWOHSUSA-N
MW386.50 g/mol
LogP3.46
Rot. Bonds5

About methyl 2-[(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetate

methyl 2-[(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetate (PubChem CID 1307500) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is methyl 2-[(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetate
PubChem CID1307500
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC Namemethyl 2-[(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetate
SMILESCCc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2CC(=O)OC)s1
InChIInChI=1S/C19H18N2O3S2/c1-3-14-9-10-15(26-14)11-16-18(23)21(13-7-5-4-6-8-13)19(25)20(16)12-17(22)24-2/h4-11H,3,12H2,1-2H3/b16-11-
InChIKeyDHOGGGWUUQGXQR-WJDWOHSUSA-N
XLogP3.46
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze methyl 2-[(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl [3-(4-ethylphenyl)-4-oxo-5-(2-thienylmethylene)-2-thioxo-1-imidazolidinyl]acetate
CID 2186358
1-Methyl-3-phenyl-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 2179207
2-[(5E)-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetic acid
CID 44152963
Methyl 2-[[2-(phenylcarbamoyl)pyrrolidine-1-carbonyl]-(2-thiophen-2-ylethyl)amino]propanoate
CID 22575068
Methyl 2-[5-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetate
CID 54074584
2-[5-[2-(3-Ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetic acid
CID 57103470
N-methyl-N-[2-oxo-2-(4-oxo-3-phenylimidazolidin-1-yl)ethyl]thiophene-2-carboxamide
CID 59434058
5-Methyl-1-(4-morpholin-4-ylphenyl)-2-sulfanylidene-3-thiophen-2-ylimidazolidin-4-one
CID 88030944
5-Methyl-1-(4-morpholin-4-ylphenyl)-2-sulfanyl-3-thiophen-2-ylimidazolidin-4-one
CID 141056547
(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-1-methyl-3-phenyl-2-thioxoimidazolidin-4-one
CID 887738
(5E)-1-methyl-3-phenyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
CID 896945
1-Methyl-3-phenyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
CID 896946

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetate?
The IUPAC name of methyl 2-[(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetate (CID 1307500) is methyl 2-[(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetate is CCc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2CC(=O)OC)s1.
What is the InChIKey of methyl 2-[(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetate?
The InChIKey is DHOGGGWUUQGXQR-WJDWOHSUSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c1-3-14-9-10-15(26-14)11-16-18(23)21(13-7-5-4-6-8-13)19(25)20(16)12-17(22)24-2/h4-11H,3,12H2,1-2H3/b16-11-.
What are the key properties of methyl 2-[(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetate?
methyl 2-[(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetate has a molecular weight of 386.50 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetate is sourced from PubChem (CID 1307500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).