4-[(5-bromo-2-fluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide

C11H9BrFN3O2S — CID 114677082

IUPAC4-[(5-bromo-2-fluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(COc2cc(Br)ccc2F)cs1
InChIInChI=1S/C11H9BrFN3O2S/c12-6-1-2-8(13)9(3-6)18-4-7-5-19-11(15-7)10(17)16-14/h1-3,5H,4,14H2,(H,16,17)
InChIKeyLARGVNNURVFCNV-UHFFFAOYSA-N
MW346.18 g/mol
LogP2.23
Rot. Bonds4

About 4-[(5-bromo-2-fluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide

4-[(5-bromo-2-fluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 114677082) has the molecular formula C11H9BrFN3O2S and a molecular weight of 346.18 g/mol. Its IUPAC name is 4-[(5-bromo-2-fluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[(5-bromo-2-fluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID114677082
Molecular FormulaC11H9BrFN3O2S
Molecular Weight346.18 g/mol
Exact Mass344.96
IUPAC Name4-[(5-bromo-2-fluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(COc2cc(Br)ccc2F)cs1
InChIInChI=1S/C11H9BrFN3O2S/c12-6-1-2-8(13)9(3-6)18-4-7-5-19-11(15-7)10(17)16-14/h1-3,5H,4,14H2,(H,16,17)
InChIKeyLARGVNNURVFCNV-UHFFFAOYSA-N
XLogP2.23
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-bromo-2,3-difluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 107101923
4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 64854518
4-[(4-bromophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 55215150
4-[(4-acetyl-3-fluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 107718996
4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63575285
N-[[4-[(5-bromo-2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 114676838
4-[(3,5-dimethoxyphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63570853
4-[(3,4-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63575479
4-[(4-bromo-2-chlorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664287
4-[(2-chloro-4-cyanophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63575239
4-[(2,6-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 55213006
4-[(3-iodophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 55213802

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-fluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[(5-bromo-2-fluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide (CID 114677082) is 4-[(5-bromo-2-fluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[(5-bromo-2-fluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[(5-bromo-2-fluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide is NNC(=O)c1nc(COc2cc(Br)ccc2F)cs1.
What is the InChIKey of 4-[(5-bromo-2-fluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is LARGVNNURVFCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O2S/c12-6-1-2-8(13)9(3-6)18-4-7-5-19-11(15-7)10(17)16-14/h1-3,5H,4,14H2,(H,16,17).
What are the key properties of 4-[(5-bromo-2-fluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
4-[(5-bromo-2-fluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 346.18 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-fluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 114677082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).