3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione

C25H21N5O3S — CID 71574677

IUPAC3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESCOc1ccc(Nc2nnc(CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)s2)cc1
InChIInChI=1S/C25H21N5O3S/c1-33-20-14-12-19(13-15-20)26-23-29-28-21(34-23)16-30-22(31)25(27-24(30)32,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,16H2,1H3,(H,26,29)(H,27,32)
InChIKeyZAALVSBXCWJMGQ-UHFFFAOYSA-N
MW471.54 g/mol
LogP4.29
Rot. Bonds7

About 3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione

3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 71574677) has the molecular formula C25H21N5O3S and a molecular weight of 471.54 g/mol. Its IUPAC name is 3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
PubChem CID71574677
Molecular FormulaC25H21N5O3S
Molecular Weight471.54 g/mol
Exact Mass471.14
IUPAC Name3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESCOc1ccc(Nc2nnc(CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)s2)cc1
InChIInChI=1S/C25H21N5O3S/c1-33-20-14-12-19(13-15-20)26-23-29-28-21(34-23)16-30-22(31)25(27-24(30)32,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,16H2,1H3,(H,26,29)(H,27,32)
InChIKeyZAALVSBXCWJMGQ-UHFFFAOYSA-N
XLogP4.29
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione (CID 71574677) is 3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione is COc1ccc(Nc2nnc(CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)s2)cc1.
What is the InChIKey of 3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is ZAALVSBXCWJMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3S/c1-33-20-14-12-19(13-15-20)26-23-29-28-21(34-23)16-30-22(31)25(27-24(30)32,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,16H2,1H3,(H,26,29)(H,27,32).
What are the key properties of 3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 471.54 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 71574677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).