(E)-N-(2-aminophenyl)-3-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]prop-2-enamide

C18H14FN3OS — CID 166627712

IUPAC(E)-N-(2-aminophenyl)-3-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]prop-2-enamide
SMILESNc1ccccc1NC(=O)/C=C/c1cnc(-c2cccc(F)c2)s1
InChIInChI=1S/C18H14FN3OS/c19-13-5-3-4-12(10-13)18-21-11-14(24-18)8-9-17(23)22-16-7-2-1-6-15(16)20/h1-11H,20H2,(H,22,23)/b9-8+
InChIKeyQAPRELJWOAKWDX-CMDGGOBGSA-N
MW339.40 g/mol
LogP4.18
Rot. Bonds4

About (E)-N-(2-aminophenyl)-3-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]prop-2-enamide

(E)-N-(2-aminophenyl)-3-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]prop-2-enamide (PubChem CID 166627712) has the molecular formula C18H14FN3OS and a molecular weight of 339.40 g/mol. Its IUPAC name is (E)-N-(2-aminophenyl)-3-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-aminophenyl)-3-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]prop-2-enamide
PubChem CID166627712
Molecular FormulaC18H14FN3OS
Molecular Weight339.40 g/mol
Exact Mass339.08
IUPAC Name(E)-N-(2-aminophenyl)-3-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]prop-2-enamide
SMILESNc1ccccc1NC(=O)/C=C/c1cnc(-c2cccc(F)c2)s1
InChIInChI=1S/C18H14FN3OS/c19-13-5-3-4-12(10-13)18-21-11-14(24-18)8-9-17(23)22-16-7-2-1-6-15(16)20/h1-11H,20H2,(H,22,23)/b9-8+
InChIKeyQAPRELJWOAKWDX-CMDGGOBGSA-N
XLogP4.18
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-(2-aminophenyl)-3-[2-(3-fluorophenyl)-1,3-thiazol-5-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 (E)-N-(2-aminophenyl)-3-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-(2-aminophenyl)-3-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]prop-2-enamide (CID 166627712) is (E)-N-(2-aminophenyl)-3-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-aminophenyl)-3-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-aminophenyl)-3-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]prop-2-enamide is Nc1ccccc1NC(=O)/C=C/c1cnc(-c2cccc(F)c2)s1.
What is the InChIKey of (E)-N-(2-aminophenyl)-3-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]prop-2-enamide?
The InChIKey is QAPRELJWOAKWDX-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H14FN3OS/c19-13-5-3-4-12(10-13)18-21-11-14(24-18)8-9-17(23)22-16-7-2-1-6-15(16)20/h1-11H,20H2,(H,22,23)/b9-8+.
What are the key properties of (E)-N-(2-aminophenyl)-3-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]prop-2-enamide?
(E)-N-(2-aminophenyl)-3-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]prop-2-enamide has a molecular weight of 339.40 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-aminophenyl)-3-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]prop-2-enamide is sourced from PubChem (CID 166627712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).