(5Z)-3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-2-sulfanylideneimidazolidin-4-one

C17H16N2O3S — CID 2180452

IUPAC(5Z)-3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCCOc1ccc(N2C(=O)/C(=C/c3ccco3)N(C)C2=S)cc1
InChIInChI=1S/C17H16N2O3S/c1-3-21-13-8-6-12(7-9-13)19-16(20)15(18(2)17(19)23)11-14-5-4-10-22-14/h4-11H,3H2,1-2H3/b15-11-
InChIKeyGVQRVYCUSRAFGV-PTNGSMBKSA-N
MW328.39 g/mol
LogP3.28
Rot. Bonds4

About (5Z)-3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-2-sulfanylideneimidazolidin-4-one

(5Z)-3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 2180452) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is (5Z)-3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-2-sulfanylideneimidazolidin-4-one
PubChem CID2180452
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name(5Z)-3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCCOc1ccc(N2C(=O)/C(=C/c3ccco3)N(C)C2=S)cc1
InChIInChI=1S/C17H16N2O3S/c1-3-21-13-8-6-12(7-9-13)19-16(20)15(18(2)17(19)23)11-14-5-4-10-22-14/h4-11H,3H2,1-2H3/b15-11-
InChIKeyGVQRVYCUSRAFGV-PTNGSMBKSA-N
XLogP3.28
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z)-3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-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

(E)-3-(furan-2-yl)-N-[(4-methoxyphenyl)carbamothioyl]prop-2-enamide
CID 835019
(E)-3-(furan-2-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 963834
5-Furan-2-ylmethylene-1-(4-methoxy-phenyl)-2-thioxo-dihydro-pyrimidine-4,6-dione
CID 5757581
3-(4-Ethoxyphenyl)-1-methyl-5-[(5-methyl-2-furyl)methylene]-2-thioxo-4-imidazolidinone
CID 2179260
2-[1-ethyl-3-(furan-2-ylmethyl)-5-oxo-2-thioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 2951582
N-(4-ethoxyphenyl)-2-[3-(furan-2-ylmethyl)-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl]acetamide
CID 3540332
1-(4-Ethoxy-phenyl)-5-furan-2-ylmethylene-2-thioxo-dihydro-pyrimidine-4,6-dione
CID 2059125
1-(4-ethoxyphenyl)-5-[(5-methyl-2-furyl)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
CID 2058360
4-(furan-2-carbonyl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide
CID 709304
(2E)-N-{[4-(dimethylamino)phenyl]carbamothioyl}-3-(furan-2-yl)prop-2-enamide
CID 885083
3-(2-furyl)-N-({[2-(1-pyrrolidinyl)phenyl]amino}carbonothioyl)acrylamide
CID 890674
(5E)-5-[(5-methylfuran-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 895537

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-2-sulfanylideneimidazolidin-4-one (CID 2180452) is (5Z)-3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-2-sulfanylideneimidazolidin-4-one is CCOc1ccc(N2C(=O)/C(=C/c3ccco3)N(C)C2=S)cc1.
What is the InChIKey of (5Z)-3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is GVQRVYCUSRAFGV-PTNGSMBKSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-3-21-13-8-6-12(7-9-13)19-16(20)15(18(2)17(19)23)11-14-5-4-10-22-14/h4-11H,3H2,1-2H3/b15-11-.
What are the key properties of (5Z)-3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-2-sulfanylideneimidazolidin-4-one?
(5Z)-3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 328.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 2180452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).