3-(4-fluorophenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide

C11H8FN3OS — CID 840313

IUPAC3-(4-fluorophenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccc(F)cc1)Nc1nncs1
InChIInChI=1S/C11H8FN3OS/c12-9-4-1-8(2-5-9)3-6-10(16)14-11-15-13-7-17-11/h1-7H,(H,14,15,16)
InChIKeyUEFJTXFOTOPOJN-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.33
Rot. Bonds3

About 3-(4-fluorophenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide

3-(4-fluorophenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide (PubChem CID 840313) has the molecular formula C11H8FN3OS and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
PubChem CID840313
Molecular FormulaC11H8FN3OS
Molecular Weight249.27 g/mol
Exact Mass249.04
IUPAC Name3-(4-fluorophenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccc(F)cc1)Nc1nncs1
InChIInChI=1S/C11H8FN3OS/c12-9-4-1-8(2-5-9)3-6-10(16)14-11-15-13-7-17-11/h1-7H,(H,14,15,16)
InChIKeyUEFJTXFOTOPOJN-UHFFFAOYSA-N
XLogP2.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(4-fluorophenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide 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-fluorophenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide (CID 840313) is 3-(4-fluorophenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide is O=C(C=Cc1ccc(F)cc1)Nc1nncs1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide?
The InChIKey is UEFJTXFOTOPOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3OS/c12-9-4-1-8(2-5-9)3-6-10(16)14-11-15-13-7-17-11/h1-7H,(H,14,15,16).
What are the key properties of 3-(4-fluorophenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide?
3-(4-fluorophenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide has a molecular weight of 249.27 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 840313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).