5,5-diphenyl-3-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione

C18H14N4O3S — CID 71574497

IUPAC5,5-diphenyl-3-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1n[nH]c(=S)o1
InChIInChI=1S/C18H14N4O3S/c23-15-18(12-7-3-1-4-8-12,13-9-5-2-6-10-13)19-16(24)22(15)11-14-20-21-17(26)25-14/h1-10H,11H2,(H,19,24)(H,21,26)
InChIKeyUNEOPHOCJOVLGI-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.73
Rot. Bonds4

About 5,5-diphenyl-3-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione

5,5-diphenyl-3-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione (PubChem CID 71574497) has the molecular formula C18H14N4O3S and a molecular weight of 366.40 g/mol. Its IUPAC name is 5,5-diphenyl-3-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-diphenyl-3-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
PubChem CID71574497
Molecular FormulaC18H14N4O3S
Molecular Weight366.40 g/mol
Exact Mass366.08
IUPAC Name5,5-diphenyl-3-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1n[nH]c(=S)o1
InChIInChI=1S/C18H14N4O3S/c23-15-18(12-7-3-1-4-8-12,13-9-5-2-6-10-13)19-16(24)22(15)11-14-20-21-17(26)25-14/h1-10H,11H2,(H,19,24)(H,21,26)
InChIKeyUNEOPHOCJOVLGI-UHFFFAOYSA-N
XLogP2.73
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-diphenyl-3-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-diphenyl-3-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione (CID 71574497) is 5,5-diphenyl-3-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-diphenyl-3-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-diphenyl-3-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione is O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1n[nH]c(=S)o1.
What is the InChIKey of 5,5-diphenyl-3-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is UNEOPHOCJOVLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S/c23-15-18(12-7-3-1-4-8-12,13-9-5-2-6-10-13)19-16(24)22(15)11-14-20-21-17(26)25-14/h1-10H,11H2,(H,19,24)(H,21,26).
What are the key properties of 5,5-diphenyl-3-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione?
5,5-diphenyl-3-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 366.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diphenyl-3-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 71574497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).