(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-one

C18H16N2O2S — CID 19548512

IUPAC(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-one
SMILESCC(c1ccccc1)N1C(=O)/C(=C/C=C/c2ccco2)NC1=S
InChIInChI=1S/C18H16N2O2S/c1-13(14-7-3-2-4-8-14)20-17(21)16(19-18(20)23)11-5-9-15-10-6-12-22-15/h2-13H,1H3,(H,19,23)/b9-5+,16-11-
InChIKeyNBPRRDHRYKZXRS-QHTRCIJJSA-N
MW324.41 g/mol
LogP3.65
Rot. Bonds4

About (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-one

(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 19548512) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID19548512
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-one
SMILESCC(c1ccccc1)N1C(=O)/C(=C/C=C/c2ccco2)NC1=S
InChIInChI=1S/C18H16N2O2S/c1-13(14-7-3-2-4-8-14)20-17(21)16(19-18(20)23)11-5-9-15-10-6-12-22-15/h2-13H,1H3,(H,19,23)/b9-5+,16-11-
InChIKeyNBPRRDHRYKZXRS-QHTRCIJJSA-N
XLogP3.65
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-one 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

(5E)-3-(2-ethylphenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one
CID 19549186
(5E)-3-butyl-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one
CID 19545623
(5Z)-5-(furan-2-ylmethylidene)-3-[(1S)-1-phenylethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 40963140
(5E)-3-[(1S)-1-phenylethyl]-2-sulfanylidene-5-[(1,3,5-trimethylpyrazol-4-yl)methylidene]imidazolidin-4-one
CID 29089497
(5Z)-3-(1-phenylethyl)-2-sulfanylidene-5-[(2,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one
CID 19548400
(5E)-3-[2-(3,4-diethoxyphenyl)ethyl]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one
CID 19288253
(5Z)-5-[[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methylidene]-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-one
CID 19548441
2-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid
CID 6289793
(2R)-2-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylpentanoic acid
CID 34552867
(5Z)-5-[(4-chloro-1-ethylpyrazol-5-yl)methylidene]-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-one
CID 135786746
(5Z)-3-(1-phenylethyl)-2-sulfanylidene-5-[[5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-yl]methylidene]imidazolidin-4-one
CID 19548481
5-[3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
CID 57124689

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-one (CID 19548512) is (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-one is CC(c1ccccc1)N1C(=O)/C(=C/C=C/c2ccco2)NC1=S.
What is the InChIKey of (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is NBPRRDHRYKZXRS-QHTRCIJJSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-13(14-7-3-2-4-8-14)20-17(21)16(19-18(20)23)11-5-9-15-10-6-12-22-15/h2-13H,1H3,(H,19,23)/b9-5+,16-11-.
What are the key properties of (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 324.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 19548512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).