1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-[4-fluoro-2-(2-methylpropoxy)phenyl]urea

C15H19FN4O2S — CID 66999167

IUPAC1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-[4-fluoro-2-(2-methylpropoxy)phenyl]urea
SMILESCCc1nsc(NC(=O)Nc2ccc(F)cc2OCC(C)C)n1
InChIInChI=1S/C15H19FN4O2S/c1-4-13-18-15(23-20-13)19-14(21)17-11-6-5-10(16)7-12(11)22-8-9(2)3/h5-7,9H,4,8H2,1-3H3,(H2,17,18,19,20,21)
InChIKeyLRTCKBULIJYEAE-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.92
Rot. Bonds6

About 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-[4-fluoro-2-(2-methylpropoxy)phenyl]urea

1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-[4-fluoro-2-(2-methylpropoxy)phenyl]urea (PubChem CID 66999167) has the molecular formula C15H19FN4O2S and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-[4-fluoro-2-(2-methylpropoxy)phenyl]urea.

Molecular Properties

Compound Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-[4-fluoro-2-(2-methylpropoxy)phenyl]urea
PubChem CID66999167
Molecular FormulaC15H19FN4O2S
Molecular Weight338.41 g/mol
Exact Mass338.12
IUPAC Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-[4-fluoro-2-(2-methylpropoxy)phenyl]urea
SMILESCCc1nsc(NC(=O)Nc2ccc(F)cc2OCC(C)C)n1
InChIInChI=1S/C15H19FN4O2S/c1-4-13-18-15(23-20-13)19-14(21)17-11-6-5-10(16)7-12(11)22-8-9(2)3/h5-7,9H,4,8H2,1-3H3,(H2,17,18,19,20,21)
InChIKeyLRTCKBULIJYEAE-UHFFFAOYSA-N
XLogP3.92
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-[4-fluoro-2-(2-methylpropoxy)phenyl]urea 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 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-[4-fluoro-2-(2-methylpropoxy)phenyl]urea?
The IUPAC name of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-[4-fluoro-2-(2-methylpropoxy)phenyl]urea (CID 66999167) is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-[4-fluoro-2-(2-methylpropoxy)phenyl]urea.
What is the SMILES notation for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-[4-fluoro-2-(2-methylpropoxy)phenyl]urea?
The canonical SMILES for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-[4-fluoro-2-(2-methylpropoxy)phenyl]urea is CCc1nsc(NC(=O)Nc2ccc(F)cc2OCC(C)C)n1.
What is the InChIKey of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-[4-fluoro-2-(2-methylpropoxy)phenyl]urea?
The InChIKey is LRTCKBULIJYEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2S/c1-4-13-18-15(23-20-13)19-14(21)17-11-6-5-10(16)7-12(11)22-8-9(2)3/h5-7,9H,4,8H2,1-3H3,(H2,17,18,19,20,21).
What are the key properties of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-[4-fluoro-2-(2-methylpropoxy)phenyl]urea?
1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-[4-fluoro-2-(2-methylpropoxy)phenyl]urea has a molecular weight of 338.41 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-[4-fluoro-2-(2-methylpropoxy)phenyl]urea is sourced from PubChem (CID 66999167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).