3,4-diethyl-N-(4-fluorophenyl)-1,3-thiazol-2-imine

C13H15FN2S — CID 4079798

IUPAC3,4-diethyl-N-(4-fluorophenyl)-1,3-thiazol-2-imine
SMILESCCc1cs/c(=N\c2ccc(F)cc2)n1CC
InChIInChI=1S/C13H15FN2S/c1-3-12-9-17-13(16(12)4-2)15-11-7-5-10(14)6-8-11/h5-9H,3-4H2,1-2H3/b15-13-
InChIKeyPWGBKHSWJSJJOX-SQFISAMPSA-N
MW250.34 g/mol
LogP3.50
Rot. Bonds3

About 3,4-diethyl-N-(4-fluorophenyl)-1,3-thiazol-2-imine

3,4-diethyl-N-(4-fluorophenyl)-1,3-thiazol-2-imine (PubChem CID 4079798) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 3,4-diethyl-N-(4-fluorophenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3,4-diethyl-N-(4-fluorophenyl)-1,3-thiazol-2-imine
PubChem CID4079798
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name3,4-diethyl-N-(4-fluorophenyl)-1,3-thiazol-2-imine
SMILESCCc1cs/c(=N\c2ccc(F)cc2)n1CC
InChIInChI=1S/C13H15FN2S/c1-3-12-9-17-13(16(12)4-2)15-11-7-5-10(14)6-8-11/h5-9H,3-4H2,1-2H3/b15-13-
InChIKeyPWGBKHSWJSJJOX-SQFISAMPSA-N
XLogP3.50
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

Analyze 3,4-diethyl-N-(4-fluorophenyl)-1,3-thiazol-2-imine 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 3,4-diethyl-N-(4-fluorophenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3,4-diethyl-N-(4-fluorophenyl)-1,3-thiazol-2-imine (CID 4079798) is 3,4-diethyl-N-(4-fluorophenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3,4-diethyl-N-(4-fluorophenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3,4-diethyl-N-(4-fluorophenyl)-1,3-thiazol-2-imine is CCc1cs/c(=N\c2ccc(F)cc2)n1CC.
What is the InChIKey of 3,4-diethyl-N-(4-fluorophenyl)-1,3-thiazol-2-imine?
The InChIKey is PWGBKHSWJSJJOX-SQFISAMPSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-3-12-9-17-13(16(12)4-2)15-11-7-5-10(14)6-8-11/h5-9H,3-4H2,1-2H3/b15-13-.
What are the key properties of 3,4-diethyl-N-(4-fluorophenyl)-1,3-thiazol-2-imine?
3,4-diethyl-N-(4-fluorophenyl)-1,3-thiazol-2-imine has a molecular weight of 250.34 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-N-(4-fluorophenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 4079798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).