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

C15H12N2O3S — CID 4775983

IUPAC3-(furan-2-ylmethyl)-5-[(3-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1C(=Cc2cccc(O)c2)NC(=S)N1Cc1ccco1
InChIInChI=1S/C15H12N2O3S/c18-11-4-1-3-10(7-11)8-13-14(19)17(15(21)16-13)9-12-5-2-6-20-12/h1-8,18H,9H2,(H,16,21)
InChIKeyUTMAKGQXJYVUQN-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.24
Rot. Bonds3

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

3-(furan-2-ylmethyl)-5-[(3-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 4775983) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-5-[(3-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-5-[(3-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID4775983
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name3-(furan-2-ylmethyl)-5-[(3-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1C(=Cc2cccc(O)c2)NC(=S)N1Cc1ccco1
InChIInChI=1S/C15H12N2O3S/c18-11-4-1-3-10(7-11)8-13-14(19)17(15(21)16-13)9-12-5-2-6-20-12/h1-8,18H,9H2,(H,16,21)
InChIKeyUTMAKGQXJYVUQN-UHFFFAOYSA-N
XLogP2.24
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 4775792
(5Z)-3-(furan-2-ylmethyl)-5-(furan-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
CID 26493283
(5E)-1-(furan-2-ylmethyl)-5-[(3-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6044099
(5Z)-3-(furan-2-ylmethyl)-5-[(4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 98525614
(5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(furan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one
CID 19548303
(5Z)-5-[(2-ethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one
CID 9039578
(5E)-3-(furan-2-ylmethyl)-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19548311
(5E)-5-[[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one
CID 19548182
(5E)-5-[[3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one
CID 19548286
(5E)-3-(furan-2-ylmethyl)-2-sulfanylidene-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylidene]imidazolidin-4-one
CID 47077501
(5Z)-3-ethyl-5-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 29093026
3-(furan-2-ylmethyl)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4587547

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-5-[(3-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-(furan-2-ylmethyl)-5-[(3-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 4775983) is 3-(furan-2-ylmethyl)-5-[(3-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-(furan-2-ylmethyl)-5-[(3-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-(furan-2-ylmethyl)-5-[(3-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is O=C1C(=Cc2cccc(O)c2)NC(=S)N1Cc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethyl)-5-[(3-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is UTMAKGQXJYVUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c18-11-4-1-3-10(7-11)8-13-14(19)17(15(21)16-13)9-12-5-2-6-20-12/h1-8,18H,9H2,(H,16,21).
What are the key properties of 3-(furan-2-ylmethyl)-5-[(3-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
3-(furan-2-ylmethyl)-5-[(3-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 300.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-5-[(3-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 4775983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).