3-[3-[[5-[4-(difluoromethylsulfanyl)anilino]-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]imidazolidine-2,4-dione

C15H15F2N5O2S3 — CID 55857616

IUPAC3-[3-[[5-[4-(difluoromethylsulfanyl)anilino]-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCCSc1nnc(Nc2ccc(SC(F)F)cc2)s1
InChIInChI=1S/C15H15F2N5O2S3/c16-12(17)26-10-4-2-9(3-5-10)19-13-20-21-15(27-13)25-7-1-6-22-11(23)8-18-14(22)24/h2-5,12H,1,6-8H2,(H,18,24)(H,19,20)
InChIKeyMQRGQRHMFDEQJM-UHFFFAOYSA-N
MW431.52 g/mol
LogP3.63
Rot. Bonds9

About 3-[3-[[5-[4-(difluoromethylsulfanyl)anilino]-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]imidazolidine-2,4-dione

3-[3-[[5-[4-(difluoromethylsulfanyl)anilino]-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]imidazolidine-2,4-dione (PubChem CID 55857616) has the molecular formula C15H15F2N5O2S3 and a molecular weight of 431.52 g/mol. Its IUPAC name is 3-[3-[[5-[4-(difluoromethylsulfanyl)anilino]-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[[5-[4-(difluoromethylsulfanyl)anilino]-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]imidazolidine-2,4-dione
PubChem CID55857616
Molecular FormulaC15H15F2N5O2S3
Molecular Weight431.52 g/mol
Exact Mass431.04
IUPAC Name3-[3-[[5-[4-(difluoromethylsulfanyl)anilino]-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCCSc1nnc(Nc2ccc(SC(F)F)cc2)s1
InChIInChI=1S/C15H15F2N5O2S3/c16-12(17)26-10-4-2-9(3-5-10)19-13-20-21-15(27-13)25-7-1-6-22-11(23)8-18-14(22)24/h2-5,12H,1,6-8H2,(H,18,24)(H,19,20)
InChIKeyMQRGQRHMFDEQJM-UHFFFAOYSA-N
XLogP3.63
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[3-[[5-[4-(difluoromethylsulfanyl)anilino]-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]imidazolidine-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-[3-[[5-[4-(difluoromethylsulfanyl)anilino]-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[3-[[5-[4-(difluoromethylsulfanyl)anilino]-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]imidazolidine-2,4-dione (CID 55857616) is 3-[3-[[5-[4-(difluoromethylsulfanyl)anilino]-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[[5-[4-(difluoromethylsulfanyl)anilino]-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-[[5-[4-(difluoromethylsulfanyl)anilino]-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CCCSc1nnc(Nc2ccc(SC(F)F)cc2)s1.
What is the InChIKey of 3-[3-[[5-[4-(difluoromethylsulfanyl)anilino]-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]imidazolidine-2,4-dione?
The InChIKey is MQRGQRHMFDEQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N5O2S3/c16-12(17)26-10-4-2-9(3-5-10)19-13-20-21-15(27-13)25-7-1-6-22-11(23)8-18-14(22)24/h2-5,12H,1,6-8H2,(H,18,24)(H,19,20).
What are the key properties of 3-[3-[[5-[4-(difluoromethylsulfanyl)anilino]-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]imidazolidine-2,4-dione?
3-[3-[[5-[4-(difluoromethylsulfanyl)anilino]-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]imidazolidine-2,4-dione has a molecular weight of 431.52 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[5-[4-(difluoromethylsulfanyl)anilino]-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 55857616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).