(E)-3-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide

C12H8F2N2O2S — CID 166636252

IUPAC(E)-3-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1cnc(-c2ccc(F)cc2F)s1)NO
InChIInChI=1S/C12H8F2N2O2S/c13-7-1-3-9(10(14)5-7)12-15-6-8(19-12)2-4-11(17)16-18/h1-6,18H,(H,16,17)/b4-2+
InChIKeyWQKLLCDRXAPVMM-DUXPYHPUSA-N
MW282.27 g/mol
LogP2.61
Rot. Bonds3

About (E)-3-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide

(E)-3-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide (PubChem CID 166636252) has the molecular formula C12H8F2N2O2S and a molecular weight of 282.27 g/mol. Its IUPAC name is (E)-3-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide
PubChem CID166636252
Molecular FormulaC12H8F2N2O2S
Molecular Weight282.27 g/mol
Exact Mass282.03
IUPAC Name(E)-3-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1cnc(-c2ccc(F)cc2F)s1)NO
InChIInChI=1S/C12H8F2N2O2S/c13-7-1-3-9(10(14)5-7)12-15-6-8(19-12)2-4-11(17)16-18/h1-6,18H,(H,16,17)/b4-2+
InChIKeyWQKLLCDRXAPVMM-DUXPYHPUSA-N
XLogP2.61
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-3-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-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)-3-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide (CID 166636252) is (E)-3-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1cnc(-c2ccc(F)cc2F)s1)NO.
What is the InChIKey of (E)-3-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide?
The InChIKey is WQKLLCDRXAPVMM-DUXPYHPUSA-N. The full InChI is InChI=1S/C12H8F2N2O2S/c13-7-1-3-9(10(14)5-7)12-15-6-8(19-12)2-4-11(17)16-18/h1-6,18H,(H,16,17)/b4-2+.
What are the key properties of (E)-3-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide?
(E)-3-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide has a molecular weight of 282.27 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 166636252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).