N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-phenoxypropanamide

C19H17FN2O2S — CID 3417274

IUPACN-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-phenoxypropanamide
SMILESC=CCn1/c(=N/C(=O)CCOc2ccccc2)sc2cc(F)ccc21
InChIInChI=1S/C19H17FN2O2S/c1-2-11-22-16-9-8-14(20)13-17(16)25-19(22)21-18(23)10-12-24-15-6-4-3-5-7-15/h2-9,13H,1,10-12H2/b21-19-
InChIKeyJMUCRYPGROHJGG-VZCXRCSSSA-N
MW356.42 g/mol
LogP3.92
Rot. Bonds6

About N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-phenoxypropanamide

N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-phenoxypropanamide (PubChem CID 3417274) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-phenoxypropanamide
PubChem CID3417274
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC NameN-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-phenoxypropanamide
SMILESC=CCn1/c(=N/C(=O)CCOc2ccccc2)sc2cc(F)ccc21
InChIInChI=1S/C19H17FN2O2S/c1-2-11-22-16-9-8-14(20)13-17(16)25-19(22)21-18(23)10-12-24-15-6-4-3-5-7-15/h2-9,13H,1,10-12H2/b21-19-
InChIKeyJMUCRYPGROHJGG-VZCXRCSSSA-N
XLogP3.92
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-phenoxypropanamide 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 N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-phenoxypropanamide?
The IUPAC name of N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-phenoxypropanamide (CID 3417274) is N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-phenoxypropanamide.
What is the SMILES notation for N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-phenoxypropanamide?
The canonical SMILES for N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-phenoxypropanamide is C=CCn1/c(=N/C(=O)CCOc2ccccc2)sc2cc(F)ccc21.
What is the InChIKey of N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-phenoxypropanamide?
The InChIKey is JMUCRYPGROHJGG-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-2-11-22-16-9-8-14(20)13-17(16)25-19(22)21-18(23)10-12-24-15-6-4-3-5-7-15/h2-9,13H,1,10-12H2/b21-19-.
What are the key properties of N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-phenoxypropanamide?
N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-phenoxypropanamide has a molecular weight of 356.42 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-phenoxypropanamide is sourced from PubChem (CID 3417274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).