(E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-(5-bromo-2-fluorophenyl)prop-2-enamide

C14H10BrFN2O2S — CID 26469398

IUPAC(E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-(5-bromo-2-fluorophenyl)prop-2-enamide
SMILESCC(=O)c1csc(NC(=O)/C=C/c2cc(Br)ccc2F)n1
InChIInChI=1S/C14H10BrFN2O2S/c1-8(19)12-7-21-14(17-12)18-13(20)5-2-9-6-10(15)3-4-11(9)16/h2-7H,1H3,(H,17,18,20)/b5-2+
InChIKeyJWHZLQATVIZHEW-GORDUTHDSA-N
MW369.22 g/mol
LogP3.90
Rot. Bonds4

About (E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-(5-bromo-2-fluorophenyl)prop-2-enamide

(E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-(5-bromo-2-fluorophenyl)prop-2-enamide (PubChem CID 26469398) has the molecular formula C14H10BrFN2O2S and a molecular weight of 369.22 g/mol. Its IUPAC name is (E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-(5-bromo-2-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-(5-bromo-2-fluorophenyl)prop-2-enamide
PubChem CID26469398
Molecular FormulaC14H10BrFN2O2S
Molecular Weight369.22 g/mol
Exact Mass367.96
IUPAC Name(E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-(5-bromo-2-fluorophenyl)prop-2-enamide
SMILESCC(=O)c1csc(NC(=O)/C=C/c2cc(Br)ccc2F)n1
InChIInChI=1S/C14H10BrFN2O2S/c1-8(19)12-7-21-14(17-12)18-13(20)5-2-9-6-10(15)3-4-11(9)16/h2-7H,1H3,(H,17,18,20)/b5-2+
InChIKeyJWHZLQATVIZHEW-GORDUTHDSA-N
XLogP3.90
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-(5-bromo-2-fluorophenyl)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

Related Compounds

(E)-N-(4-acetylphenyl)-3-(5-bromo-2-fluorophenyl)prop-2-enamide
CID 26911342
(E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
CID 24632450
(E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 43040220
(E)-3-(5-bromo-2-fluorophenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 8759989
(E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 26687032
(E)-3-(5-bromo-2-fluorophenyl)-N-tert-butylprop-2-enamide
CID 8779992
(E)-3-(5-bromo-2-fluorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)prop-2-enamide
CID 115629944
3-(5-bromo-2-fluorophenyl)-N-butan-2-ylprop-2-enamide
CID 73010614
(E)-3-(5-bromo-2-methoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 17341095
(E)-3-(3,5-dibromo-2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 17361653
3-[5-bromo-2-(difluoromethoxy)phenyl]-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 3481545
(E)-3-(5-bromo-2-fluorophenyl)-N-(2-methoxyethyl)prop-2-enamide
CID 30281164

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-(5-bromo-2-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-(5-bromo-2-fluorophenyl)prop-2-enamide (CID 26469398) is (E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-(5-bromo-2-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-(5-bromo-2-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-(5-bromo-2-fluorophenyl)prop-2-enamide is CC(=O)c1csc(NC(=O)/C=C/c2cc(Br)ccc2F)n1.
What is the InChIKey of (E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-(5-bromo-2-fluorophenyl)prop-2-enamide?
The InChIKey is JWHZLQATVIZHEW-GORDUTHDSA-N. The full InChI is InChI=1S/C14H10BrFN2O2S/c1-8(19)12-7-21-14(17-12)18-13(20)5-2-9-6-10(15)3-4-11(9)16/h2-7H,1H3,(H,17,18,20)/b5-2+.
What are the key properties of (E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-(5-bromo-2-fluorophenyl)prop-2-enamide?
(E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-(5-bromo-2-fluorophenyl)prop-2-enamide has a molecular weight of 369.22 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-(5-bromo-2-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 26469398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).