1-butyl-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)imidazolidine-2,4-dione

C19H23FN4O2S — CID 2800882

IUPAC1-butyl-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCCCCN1C(=O)N(c2nnc(C(C)(C)C)s2)C(=O)C1c1ccc(F)cc1
InChIInChI=1S/C19H23FN4O2S/c1-5-6-11-23-14(12-7-9-13(20)10-8-12)15(25)24(18(23)26)17-22-21-16(27-17)19(2,3)4/h7-10,14H,5-6,11H2,1-4H3
InChIKeyDLCLRRADOXRZCK-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.28
Rot. Bonds5

About 1-butyl-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)imidazolidine-2,4-dione

1-butyl-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 2800882) has the molecular formula C19H23FN4O2S and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-butyl-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-butyl-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)imidazolidine-2,4-dione
PubChem CID2800882
Molecular FormulaC19H23FN4O2S
Molecular Weight390.48 g/mol
Exact Mass390.15
IUPAC Name1-butyl-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCCCCN1C(=O)N(c2nnc(C(C)(C)C)s2)C(=O)C1c1ccc(F)cc1
InChIInChI=1S/C19H23FN4O2S/c1-5-6-11-23-14(12-7-9-13(20)10-8-12)15(25)24(18(23)26)17-22-21-16(27-17)19(2,3)4/h7-10,14H,5-6,11H2,1-4H3
InChIKeyDLCLRRADOXRZCK-UHFFFAOYSA-N
XLogP4.28
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 1-butyl-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)imidazolidine-2,4-dione (CID 2800882) is 1-butyl-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-butyl-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-butyl-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)imidazolidine-2,4-dione is CCCCN1C(=O)N(c2nnc(C(C)(C)C)s2)C(=O)C1c1ccc(F)cc1.
What is the InChIKey of 1-butyl-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is DLCLRRADOXRZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2S/c1-5-6-11-23-14(12-7-9-13(20)10-8-12)15(25)24(18(23)26)17-22-21-16(27-17)19(2,3)4/h7-10,14H,5-6,11H2,1-4H3.
What are the key properties of 1-butyl-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)imidazolidine-2,4-dione?
1-butyl-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 390.48 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 2800882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).