(5Z)-3-(furan-2-ylmethyl)-5-[(2-hydroxyphenyl)methylidene]-2-methylsulfanylimidazol-4-one

C16H14N2O3S — CID 6079098

IUPAC(5Z)-3-(furan-2-ylmethyl)-5-[(2-hydroxyphenyl)methylidene]-2-methylsulfanylimidazol-4-one
SMILESCSC1=N/C(=C\c2ccccc2O)C(=O)N1Cc1ccco1
InChIInChI=1S/C16H14N2O3S/c1-22-16-17-13(9-11-5-2-3-7-14(11)19)15(20)18(16)10-12-6-4-8-21-12/h2-9,19H,10H2,1H3/b13-9-
InChIKeyPJYXPSTULZCWNG-LCYFTJDESA-N
MW314.37 g/mol
LogP3.09
Rot. Bonds3

About (5Z)-3-(furan-2-ylmethyl)-5-[(2-hydroxyphenyl)methylidene]-2-methylsulfanylimidazol-4-one

(5Z)-3-(furan-2-ylmethyl)-5-[(2-hydroxyphenyl)methylidene]-2-methylsulfanylimidazol-4-one (PubChem CID 6079098) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is (5Z)-3-(furan-2-ylmethyl)-5-[(2-hydroxyphenyl)methylidene]-2-methylsulfanylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-3-(furan-2-ylmethyl)-5-[(2-hydroxyphenyl)methylidene]-2-methylsulfanylimidazol-4-one
PubChem CID6079098
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name(5Z)-3-(furan-2-ylmethyl)-5-[(2-hydroxyphenyl)methylidene]-2-methylsulfanylimidazol-4-one
SMILESCSC1=N/C(=C\c2ccccc2O)C(=O)N1Cc1ccco1
InChIInChI=1S/C16H14N2O3S/c1-22-16-17-13(9-11-5-2-3-7-14(11)19)15(20)18(16)10-12-6-4-8-21-12/h2-9,19H,10H2,1H3/b13-9-
InChIKeyPJYXPSTULZCWNG-LCYFTJDESA-N
XLogP3.09
TPSA66.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 6254034
Furan-2-yl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4687568
4-[(E)-[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135512415
(5Z)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 94863150
(Z)-N-(3-(furan-2-ylmethyl)-4-methylthiazol-2(3H)-ylidene)benzamide
CID 741668
2-{[1-ethyl-4-(4-fluorobenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}-N-(2-furylmethyl)acetamide
CID 1820041
(5Z)-5-[(4-ethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 134134877
4-((E)-((Z)-(3-(furan-2-ylmethyl)-4-methylthiazol-2(3H)-ylidene)hydrazono)methyl)phenol
CID 135521636
(5Z)-5-[(4-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-methylsulfanylimidazol-4-one
CID 5919836
(5Z)-5-[(4-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylimidazol-4-one
CID 8005122
3-(Furan-2-ylmethyl)-5-[(2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 4775974
(2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(furan-2-yl)methanone
CID 4087133

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(furan-2-ylmethyl)-5-[(2-hydroxyphenyl)methylidene]-2-methylsulfanylimidazol-4-one?
The IUPAC name of (5Z)-3-(furan-2-ylmethyl)-5-[(2-hydroxyphenyl)methylidene]-2-methylsulfanylimidazol-4-one (CID 6079098) is (5Z)-3-(furan-2-ylmethyl)-5-[(2-hydroxyphenyl)methylidene]-2-methylsulfanylimidazol-4-one.
What is the SMILES notation for (5Z)-3-(furan-2-ylmethyl)-5-[(2-hydroxyphenyl)methylidene]-2-methylsulfanylimidazol-4-one?
The canonical SMILES for (5Z)-3-(furan-2-ylmethyl)-5-[(2-hydroxyphenyl)methylidene]-2-methylsulfanylimidazol-4-one is CSC1=N/C(=C\c2ccccc2O)C(=O)N1Cc1ccco1.
What is the InChIKey of (5Z)-3-(furan-2-ylmethyl)-5-[(2-hydroxyphenyl)methylidene]-2-methylsulfanylimidazol-4-one?
The InChIKey is PJYXPSTULZCWNG-LCYFTJDESA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-22-16-17-13(9-11-5-2-3-7-14(11)19)15(20)18(16)10-12-6-4-8-21-12/h2-9,19H,10H2,1H3/b13-9-.
What are the key properties of (5Z)-3-(furan-2-ylmethyl)-5-[(2-hydroxyphenyl)methylidene]-2-methylsulfanylimidazol-4-one?
(5Z)-3-(furan-2-ylmethyl)-5-[(2-hydroxyphenyl)methylidene]-2-methylsulfanylimidazol-4-one has a molecular weight of 314.37 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(furan-2-ylmethyl)-5-[(2-hydroxyphenyl)methylidene]-2-methylsulfanylimidazol-4-one is sourced from PubChem (CID 6079098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).