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

C12H9FN2O2S — CID 166634093

IUPAC(E)-3-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1cnc(-c2cccc(F)c2)s1)NO
InChIInChI=1S/C12H9FN2O2S/c13-9-3-1-2-8(6-9)12-14-7-10(18-12)4-5-11(16)15-17/h1-7,17H,(H,15,16)/b5-4+
InChIKeyGCHCDDJUSCFRDN-SNAWJCMRSA-N
MW264.28 g/mol
LogP2.47
Rot. Bonds3

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

(E)-3-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide (PubChem CID 166634093) has the molecular formula C12H9FN2O2S and a molecular weight of 264.28 g/mol. Its IUPAC name is (E)-3-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide
PubChem CID166634093
Molecular FormulaC12H9FN2O2S
Molecular Weight264.28 g/mol
Exact Mass264.04
IUPAC Name(E)-3-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1cnc(-c2cccc(F)c2)s1)NO
InChIInChI=1S/C12H9FN2O2S/c13-9-3-1-2-8(6-9)12-14-7-10(18-12)4-5-11(16)15-17/h1-7,17H,(H,15,16)/b5-4+
InChIKeyGCHCDDJUSCFRDN-SNAWJCMRSA-N
XLogP2.47
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.47
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'}

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Related Compounds

(2-Phenyl-1,3-thiazol-5-yl)methanamine
CID 595758
3-oxo-3-(2-phenyl-1,3-thiazol-5-yl)propanal O-methyloxime
CID 9638908
(E)-3-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide
CID 166636252
US9505736, (1S,2R,3S)-1-Fluoro-2-(2-(4-fluorophenyl)thiazol-5-yl)-N-hydroxy-3-phenylcyclopropanecarboxamide
CID 72950691
(NE)-N-[1-(2-phenyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
CID 5902953
N-[1-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide
CID 134809825
N-[3-(dimethylamino)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 164615283
N-[3-(4-fluoropiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 164622279
2-(4-fluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 166627912
2-(3-Fluorophenyl)thiazole-5-carbaldehyde
CID 45036825
2-(2-Fluorophenyl)-1,3-thiazole-5-carbaldehyde
CID 53403536
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 53537971

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide (CID 166634093) is (E)-3-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1cnc(-c2cccc(F)c2)s1)NO.
What is the InChIKey of (E)-3-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide?
The InChIKey is GCHCDDJUSCFRDN-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H9FN2O2S/c13-9-3-1-2-8(6-9)12-14-7-10(18-12)4-5-11(16)15-17/h1-7,17H,(H,15,16)/b5-4+.
What are the key properties of (E)-3-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide?
(E)-3-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide has a molecular weight of 264.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 166634093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).