5-(furan-2-ylmethylidene)-1-phenyl-2-sulfanylideneimidazolidin-4-one

C14H10N2O2S — CID 173085736

IUPAC5-(furan-2-ylmethylidene)-1-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)N(c2ccccc2)C1=Cc1ccco1
InChIInChI=1S/C14H10N2O2S/c17-13-12(9-11-7-4-8-18-11)16(14(19)15-13)10-5-2-1-3-6-10/h1-9H,(H,15,17,19)
InChIKeyDBARHDPQTDJKPK-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.54
Rot. Bonds2

About 5-(furan-2-ylmethylidene)-1-phenyl-2-sulfanylideneimidazolidin-4-one

5-(furan-2-ylmethylidene)-1-phenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 173085736) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 5-(furan-2-ylmethylidene)-1-phenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-(furan-2-ylmethylidene)-1-phenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID173085736
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name5-(furan-2-ylmethylidene)-1-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)N(c2ccccc2)C1=Cc1ccco1
InChIInChI=1S/C14H10N2O2S/c17-13-12(9-11-7-4-8-18-11)16(14(19)15-13)10-5-2-1-3-6-10/h1-9H,(H,15,17,19)
InChIKeyDBARHDPQTDJKPK-UHFFFAOYSA-N
XLogP2.54
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.54
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'}

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Related Compounds

5-(furan-2-ylmethylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one
CID 936275
(5Z)-1-(4-chlorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 867946
5-(furan-2-ylmethylidene)-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 747605
(5Z)-1-(4-fluorophenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 947009
(5E)-1-(4-chlorophenyl)-5-(furan-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 2179731
(5Z)-1-ethyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 5425485
1-(4-fluorophenyl)-5-(furan-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 3128350
(5Z)-5-(furan-2-ylmethylidene)-3-phenyl-2-propyliminoimidazolidin-4-one
CID 135418631
5-[3-(furan-2-yl)prop-2-enylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1356818
(5E)-1-benzyl-5-(furan-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 2288288
(5E)-5-[[4-(furan-2-carbonyl)piperazin-1-yl]methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 73253712
1-(2-chlorophenyl)-5-(furan-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 3928300

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylidene)-1-phenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-(furan-2-ylmethylidene)-1-phenyl-2-sulfanylideneimidazolidin-4-one (CID 173085736) is 5-(furan-2-ylmethylidene)-1-phenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-(furan-2-ylmethylidene)-1-phenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-(furan-2-ylmethylidene)-1-phenyl-2-sulfanylideneimidazolidin-4-one is O=C1NC(=S)N(c2ccccc2)C1=Cc1ccco1.
What is the InChIKey of 5-(furan-2-ylmethylidene)-1-phenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is DBARHDPQTDJKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c17-13-12(9-11-7-4-8-18-11)16(14(19)15-13)10-5-2-1-3-6-10/h1-9H,(H,15,17,19).
What are the key properties of 5-(furan-2-ylmethylidene)-1-phenyl-2-sulfanylideneimidazolidin-4-one?
5-(furan-2-ylmethylidene)-1-phenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 270.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylidene)-1-phenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 173085736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).