(5Z)-3-prop-2-enyl-2-prop-2-enylsulfanyl-5-(thiophen-2-ylmethylidene)imidazol-4-one

C14H14N2OS2 — CID 5470559

IUPAC(5Z)-3-prop-2-enyl-2-prop-2-enylsulfanyl-5-(thiophen-2-ylmethylidene)imidazol-4-one
SMILESC=CCSC1=N/C(=C\c2cccs2)C(=O)N1CC=C
InChIInChI=1S/C14H14N2OS2/c1-3-7-16-13(17)12(10-11-6-5-9-18-11)15-14(16)19-8-4-2/h3-6,9-10H,1-2,7-8H2/b12-10-
InChIKeyUULLAUGEEZHUHY-BENRWUELSA-N
MW290.41 g/mol
LogP3.39
Rot. Bonds5

About (5Z)-3-prop-2-enyl-2-prop-2-enylsulfanyl-5-(thiophen-2-ylmethylidene)imidazol-4-one

(5Z)-3-prop-2-enyl-2-prop-2-enylsulfanyl-5-(thiophen-2-ylmethylidene)imidazol-4-one (PubChem CID 5470559) has the molecular formula C14H14N2OS2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (5Z)-3-prop-2-enyl-2-prop-2-enylsulfanyl-5-(thiophen-2-ylmethylidene)imidazol-4-one.

Molecular Properties

Compound Name(5Z)-3-prop-2-enyl-2-prop-2-enylsulfanyl-5-(thiophen-2-ylmethylidene)imidazol-4-one
PubChem CID5470559
Molecular FormulaC14H14N2OS2
Molecular Weight290.41 g/mol
Exact Mass290.05
IUPAC Name(5Z)-3-prop-2-enyl-2-prop-2-enylsulfanyl-5-(thiophen-2-ylmethylidene)imidazol-4-one
SMILESC=CCSC1=N/C(=C\c2cccs2)C(=O)N1CC=C
InChIInChI=1S/C14H14N2OS2/c1-3-7-16-13(17)12(10-11-6-5-9-18-11)15-14(16)19-8-4-2/h3-6,9-10H,1-2,7-8H2/b12-10-
InChIKeyUULLAUGEEZHUHY-BENRWUELSA-N
XLogP3.39
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.39
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)-3-prop-2-enyl-2-prop-2-enylsulfanyl-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
(5Z)-2-piperidin-1-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one
CID 677356
3-Ethyl-2-ethylimino-5-(3-methyl-thiophen-2-ylmethylene)-thiazolidin-4-one
CID 5292774
(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)-2-[(E)-but-2-enyl]sulfanyl-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)imidazol-4-one
CID 5470565

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-prop-2-enyl-2-prop-2-enylsulfanyl-5-(thiophen-2-ylmethylidene)imidazol-4-one?
The IUPAC name of (5Z)-3-prop-2-enyl-2-prop-2-enylsulfanyl-5-(thiophen-2-ylmethylidene)imidazol-4-one (CID 5470559) is (5Z)-3-prop-2-enyl-2-prop-2-enylsulfanyl-5-(thiophen-2-ylmethylidene)imidazol-4-one.
What is the SMILES notation for (5Z)-3-prop-2-enyl-2-prop-2-enylsulfanyl-5-(thiophen-2-ylmethylidene)imidazol-4-one?
The canonical SMILES for (5Z)-3-prop-2-enyl-2-prop-2-enylsulfanyl-5-(thiophen-2-ylmethylidene)imidazol-4-one is C=CCSC1=N/C(=C\c2cccs2)C(=O)N1CC=C.
What is the InChIKey of (5Z)-3-prop-2-enyl-2-prop-2-enylsulfanyl-5-(thiophen-2-ylmethylidene)imidazol-4-one?
The InChIKey is UULLAUGEEZHUHY-BENRWUELSA-N. The full InChI is InChI=1S/C14H14N2OS2/c1-3-7-16-13(17)12(10-11-6-5-9-18-11)15-14(16)19-8-4-2/h3-6,9-10H,1-2,7-8H2/b12-10-.
What are the key properties of (5Z)-3-prop-2-enyl-2-prop-2-enylsulfanyl-5-(thiophen-2-ylmethylidene)imidazol-4-one?
(5Z)-3-prop-2-enyl-2-prop-2-enylsulfanyl-5-(thiophen-2-ylmethylidene)imidazol-4-one has a molecular weight of 290.41 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-prop-2-enyl-2-prop-2-enylsulfanyl-5-(thiophen-2-ylmethylidene)imidazol-4-one is sourced from PubChem (CID 5470559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).