3-[2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide

C14H13BrN2O2S — CID 155518248

IUPAC3-[2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide
SMILESO=C(CCc1csc(/C=C/c2ccc(Br)cc2)n1)NO
InChIInChI=1S/C14H13BrN2O2S/c15-11-4-1-10(2-5-11)3-8-14-16-12(9-20-14)6-7-13(18)17-19/h1-5,8-9,19H,6-7H2,(H,17,18)/b8-3+
InChIKeyOSYVKTYZELVKCQ-FPYGCLRLSA-N
MW353.24 g/mol
LogP3.51
Rot. Bonds5

About 3-[2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide

3-[2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide (PubChem CID 155518248) has the molecular formula C14H13BrN2O2S and a molecular weight of 353.24 g/mol. Its IUPAC name is 3-[2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide.

Molecular Properties

Compound Name3-[2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide
PubChem CID155518248
Molecular FormulaC14H13BrN2O2S
Molecular Weight353.24 g/mol
Exact Mass351.99
IUPAC Name3-[2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide
SMILESO=C(CCc1csc(/C=C/c2ccc(Br)cc2)n1)NO
InChIInChI=1S/C14H13BrN2O2S/c15-11-4-1-10(2-5-11)3-8-14-16-12(9-20-14)6-7-13(18)17-19/h1-5,8-9,19H,6-7H2,(H,17,18)/b8-3+
InChIKeyOSYVKTYZELVKCQ-FPYGCLRLSA-N
XLogP3.51
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide 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-[2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide?
The IUPAC name of 3-[2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide (CID 155518248) is 3-[2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide.
What is the SMILES notation for 3-[2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide?
The canonical SMILES for 3-[2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide is O=C(CCc1csc(/C=C/c2ccc(Br)cc2)n1)NO.
What is the InChIKey of 3-[2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide?
The InChIKey is OSYVKTYZELVKCQ-FPYGCLRLSA-N. The full InChI is InChI=1S/C14H13BrN2O2S/c15-11-4-1-10(2-5-11)3-8-14-16-12(9-20-14)6-7-13(18)17-19/h1-5,8-9,19H,6-7H2,(H,17,18)/b8-3+.
What are the key properties of 3-[2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide?
3-[2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide has a molecular weight of 353.24 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide is sourced from PubChem (CID 155518248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).