(5Z)-2-[(E)-but-2-enyl]sulfanyl-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)imidazol-4-one

C15H16N2OS2 — CID 5470565

IUPAC(5Z)-2-[(E)-but-2-enyl]sulfanyl-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)imidazol-4-one
SMILESC=CCN1C(=O)/C(=C/c2cccs2)N=C1SC/C=C/C
InChIInChI=1S/C15H16N2OS2/c1-3-5-9-20-15-16-13(11-12-7-6-10-19-12)14(18)17(15)8-4-2/h3-7,10-11H,2,8-9H2,1H3/b5-3+,13-11-
InChIKeyWAYAVDMXGAGAIO-CMSYKNKYSA-N
MW304.44 g/mol
LogP3.78
Rot. Bonds5

About (5Z)-2-[(E)-but-2-enyl]sulfanyl-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)imidazol-4-one

(5Z)-2-[(E)-but-2-enyl]sulfanyl-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)imidazol-4-one (PubChem CID 5470565) has the molecular formula C15H16N2OS2 and a molecular weight of 304.44 g/mol. Its IUPAC name is (5Z)-2-[(E)-but-2-enyl]sulfanyl-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)imidazol-4-one.

Molecular Properties

Compound Name(5Z)-2-[(E)-but-2-enyl]sulfanyl-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)imidazol-4-one
PubChem CID5470565
Molecular FormulaC15H16N2OS2
Molecular Weight304.44 g/mol
Exact Mass304.07
IUPAC Name(5Z)-2-[(E)-but-2-enyl]sulfanyl-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)imidazol-4-one
SMILESC=CCN1C(=O)/C(=C/c2cccs2)N=C1SC/C=C/C
InChIInChI=1S/C15H16N2OS2/c1-3-5-9-20-15-16-13(11-12-7-6-10-19-12)14(18)17(15)8-4-2/h3-7,10-11H,2,8-9H2,1H3/b5-3+,13-11-
InChIKeyWAYAVDMXGAGAIO-CMSYKNKYSA-N
XLogP3.78
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z)-2-[(E)-but-2-enyl]sulfanyl-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)imidazol-4-one with MolForge

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Related Compounds

(E)-2-(4-acetylpiperazin-1-yl)-5-(thiophen-2-ylmethylene)thiazol-4(5H)-one
CID 1586676
2-Methylsulfanyl imidazol-4-one, 8
CID 135932619
(E)-3-(4-(4-oxo-5-(thiophen-2-ylmethylene)-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile
CID 5765377
(2Z,5Z)-3-ethyl-2-(ethylimino)-5-[(3-methylthien-2-yl)methylene]-1,3-thiazolidin-4-one
CID 5955327
(2Z)-2-[(5-methylthiophen-2-yl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
CID 71699610
2-Imino-1-methyl-5-[(5-methyl-2-thienyl)methylene]-4-imidazolidinone
CID 885627
(4E)-2-methylsulfanyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
CID 135445605
3-Ethyl-2-ethylimino-5-(3-methyl-thiophen-2-ylmethylene)-thiazolidin-4-one
CID 5292774
(5Z)-2-methylsulfanyl-3-(morpholinomethyl)-5-(2-thienylmethylene)imidazol-4-one
CID 5469483
(5Z)-2-(4-methylpiperazin-1-yl)-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one
CID 2716862
(5Z)-2-methylsulfanyl-3-(1-piperidylmethyl)-5-(2-thienylmethylene)imidazol-4-one
CID 5469489
(5Z)-3-prop-2-enyl-2-prop-2-enylsulfanyl-5-(thiophen-2-ylmethylidene)imidazol-4-one
CID 5470559

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-[(E)-but-2-enyl]sulfanyl-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)imidazol-4-one?
The IUPAC name of (5Z)-2-[(E)-but-2-enyl]sulfanyl-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)imidazol-4-one (CID 5470565) is (5Z)-2-[(E)-but-2-enyl]sulfanyl-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)imidazol-4-one.
What is the SMILES notation for (5Z)-2-[(E)-but-2-enyl]sulfanyl-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)imidazol-4-one?
The canonical SMILES for (5Z)-2-[(E)-but-2-enyl]sulfanyl-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)imidazol-4-one is C=CCN1C(=O)/C(=C/c2cccs2)N=C1SC/C=C/C.
What is the InChIKey of (5Z)-2-[(E)-but-2-enyl]sulfanyl-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)imidazol-4-one?
The InChIKey is WAYAVDMXGAGAIO-CMSYKNKYSA-N. The full InChI is InChI=1S/C15H16N2OS2/c1-3-5-9-20-15-16-13(11-12-7-6-10-19-12)14(18)17(15)8-4-2/h3-7,10-11H,2,8-9H2,1H3/b5-3+,13-11-.
What are the key properties of (5Z)-2-[(E)-but-2-enyl]sulfanyl-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)imidazol-4-one?
(5Z)-2-[(E)-but-2-enyl]sulfanyl-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)imidazol-4-one has a molecular weight of 304.44 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-[(E)-but-2-enyl]sulfanyl-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)imidazol-4-one is sourced from PubChem (CID 5470565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).