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

C11H8BrF2N3O2S — CID 107101923

IUPAC4-[(5-bromo-2,3-difluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(COc2cc(Br)cc(F)c2F)cs1
InChIInChI=1S/C11H8BrF2N3O2S/c12-5-1-7(13)9(14)8(2-5)19-3-6-4-20-11(16-6)10(18)17-15/h1-2,4H,3,15H2,(H,17,18)
InChIKeyZEWZUAGCDZBCCX-UHFFFAOYSA-N
MW364.17 g/mol
LogP2.37
Rot. Bonds4

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

4-[(5-bromo-2,3-difluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 107101923) has the molecular formula C11H8BrF2N3O2S and a molecular weight of 364.17 g/mol. Its IUPAC name is 4-[(5-bromo-2,3-difluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[(5-bromo-2,3-difluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID107101923
Molecular FormulaC11H8BrF2N3O2S
Molecular Weight364.17 g/mol
Exact Mass362.95
IUPAC Name4-[(5-bromo-2,3-difluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(COc2cc(Br)cc(F)c2F)cs1
InChIInChI=1S/C11H8BrF2N3O2S/c12-5-1-7(13)9(14)8(2-5)19-3-6-4-20-11(16-6)10(18)17-15/h1-2,4H,3,15H2,(H,17,18)
InChIKeyZEWZUAGCDZBCCX-UHFFFAOYSA-N
XLogP2.37
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.17
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', '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-fluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 114677082
4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 64854518
4-[(5-bromo-2,3-difluorophenoxy)methyl]-2-methyl-1,3-thiazole
CID 107098783
4-[(4-bromophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 55215150
4-[(5-bromo-2,3-difluorophenoxy)methyl]-2-propyl-1,3-thiazole
CID 107098522
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
4-[(3,5-dimethoxyphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63570853
5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-carbohydrazide
CID 107101927
4-[(3,4-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63575479
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

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2,3-difluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[(5-bromo-2,3-difluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide (CID 107101923) is 4-[(5-bromo-2,3-difluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[(5-bromo-2,3-difluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[(5-bromo-2,3-difluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide is NNC(=O)c1nc(COc2cc(Br)cc(F)c2F)cs1.
What is the InChIKey of 4-[(5-bromo-2,3-difluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is ZEWZUAGCDZBCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2N3O2S/c12-5-1-7(13)9(14)8(2-5)19-3-6-4-20-11(16-6)10(18)17-15/h1-2,4H,3,15H2,(H,17,18).
What are the key properties of 4-[(5-bromo-2,3-difluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
4-[(5-bromo-2,3-difluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 364.17 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2,3-difluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 107101923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).