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

C19H16N4O2S2 — CID 47772433

IUPAC3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESCSc1nnc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1
InChIInChI=1S/C19H16N4O2S2/c1-26-18-22-21-15(27-18)12-23-16(24)19(20-17(23)25,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,20,25)
InChIKeyFGZCPIKUMGVFCB-UHFFFAOYSA-N
MW396.50 g/mol
LogP3.26
Rot. Bonds5

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

3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 47772433) has the molecular formula C19H16N4O2S2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione
PubChem CID47772433
Molecular FormulaC19H16N4O2S2
Molecular Weight396.50 g/mol
Exact Mass396.07
IUPAC Name3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESCSc1nnc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1
InChIInChI=1S/C19H16N4O2S2/c1-26-18-22-21-15(27-18)12-23-16(24)19(20-17(23)25,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,20,25)
InChIKeyFGZCPIKUMGVFCB-UHFFFAOYSA-N
XLogP3.26
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione (CID 47772433) is 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione is CSc1nnc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1.
What is the InChIKey of 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is FGZCPIKUMGVFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S2/c1-26-18-22-21-15(27-18)12-23-16(24)19(20-17(23)25,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,20,25).
What are the key properties of 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione?
3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 396.50 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 47772433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).