2-sulfanylidene-5-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]imidazolidin-4-one

C14H9F3N2O2S — CID 90178863

IUPAC2-sulfanylidene-5-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]imidazolidin-4-one
SMILESO=C1NC(=S)NC1c1ccc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C14H9F3N2O2S/c15-14(16,17)8-3-1-7(2-4-8)9-5-6-10(21-9)11-12(20)19-13(22)18-11/h1-6,11H,(H2,18,19,20,22)
InChIKeyRTNHYDABWWGSQP-UHFFFAOYSA-N
MW326.30 g/mol
LogP3.01
Rot. Bonds2

About 2-sulfanylidene-5-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]imidazolidin-4-one

2-sulfanylidene-5-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]imidazolidin-4-one (PubChem CID 90178863) has the molecular formula C14H9F3N2O2S and a molecular weight of 326.30 g/mol. Its IUPAC name is 2-sulfanylidene-5-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]imidazolidin-4-one.

Molecular Properties

Compound Name2-sulfanylidene-5-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]imidazolidin-4-one
PubChem CID90178863
Molecular FormulaC14H9F3N2O2S
Molecular Weight326.30 g/mol
Exact Mass326.03
IUPAC Name2-sulfanylidene-5-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]imidazolidin-4-one
SMILESO=C1NC(=S)NC1c1ccc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C14H9F3N2O2S/c15-14(16,17)8-3-1-7(2-4-8)9-5-6-10(21-9)11-12(20)19-13(22)18-11/h1-6,11H,(H2,18,19,20,22)
InChIKeyRTNHYDABWWGSQP-UHFFFAOYSA-N
XLogP3.01
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanylidene-5-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]imidazolidin-4-one?
The IUPAC name of 2-sulfanylidene-5-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]imidazolidin-4-one (CID 90178863) is 2-sulfanylidene-5-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]imidazolidin-4-one.
What is the SMILES notation for 2-sulfanylidene-5-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]imidazolidin-4-one?
The canonical SMILES for 2-sulfanylidene-5-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]imidazolidin-4-one is O=C1NC(=S)NC1c1ccc(-c2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 2-sulfanylidene-5-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]imidazolidin-4-one?
The InChIKey is RTNHYDABWWGSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O2S/c15-14(16,17)8-3-1-7(2-4-8)9-5-6-10(21-9)11-12(20)19-13(22)18-11/h1-6,11H,(H2,18,19,20,22).
What are the key properties of 2-sulfanylidene-5-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]imidazolidin-4-one?
2-sulfanylidene-5-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]imidazolidin-4-one has a molecular weight of 326.30 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidene-5-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]imidazolidin-4-one is sourced from PubChem (CID 90178863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).