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

C24H19N5O2S — CID 71574591

IUPAC3-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1nnc(Nc2ccccc2)s1
InChIInChI=1S/C24H19N5O2S/c30-21-24(17-10-4-1-5-11-17,18-12-6-2-7-13-18)26-23(31)29(21)16-20-27-28-22(32-20)25-19-14-8-3-9-15-19/h1-15H,16H2,(H,25,28)(H,26,31)
InChIKeyGEYWKBYQSMNMTL-UHFFFAOYSA-N
MW441.52 g/mol
LogP4.28
Rot. Bonds6

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

3-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 71574591) has the molecular formula C24H19N5O2S and a molecular weight of 441.52 g/mol. Its IUPAC name is 3-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione
PubChem CID71574591
Molecular FormulaC24H19N5O2S
Molecular Weight441.52 g/mol
Exact Mass441.13
IUPAC Name3-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1nnc(Nc2ccccc2)s1
InChIInChI=1S/C24H19N5O2S/c30-21-24(17-10-4-1-5-11-17,18-12-6-2-7-13-18)26-23(31)29(21)16-20-27-28-22(32-20)25-19-14-8-3-9-15-19/h1-15H,16H2,(H,25,28)(H,26,31)
InChIKeyGEYWKBYQSMNMTL-UHFFFAOYSA-N
XLogP4.28
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione (CID 71574591) is 3-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione is O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1nnc(Nc2ccccc2)s1.
What is the InChIKey of 3-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is GEYWKBYQSMNMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2S/c30-21-24(17-10-4-1-5-11-17,18-12-6-2-7-13-18)26-23(31)29(21)16-20-27-28-22(32-20)25-19-14-8-3-9-15-19/h1-15H,16H2,(H,25,28)(H,26,31).
What are the key properties of 3-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione?
3-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 441.52 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 71574591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).