4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazole-2-carbohydrazide

C11H9FN4O4S — CID 63575285

IUPAC4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(COc2cc(F)ccc2[N+](=O)[O-])cs1
InChIInChI=1S/C11H9FN4O4S/c12-6-1-2-8(16(18)19)9(3-6)20-4-7-5-21-11(14-7)10(17)15-13/h1-3,5H,4,13H2,(H,15,17)
InChIKeyGQMOUOCHWGCJKS-UHFFFAOYSA-N
MW312.28 g/mol
LogP1.37
Rot. Bonds5

About 4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazole-2-carbohydrazide

4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 63575285) has the molecular formula C11H9FN4O4S and a molecular weight of 312.28 g/mol. Its IUPAC name is 4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID63575285
Molecular FormulaC11H9FN4O4S
Molecular Weight312.28 g/mol
Exact Mass312.03
IUPAC Name4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(COc2cc(F)ccc2[N+](=O)[O-])cs1
InChIInChI=1S/C11H9FN4O4S/c12-6-1-2-8(16(18)19)9(3-6)20-4-7-5-21-11(14-7)10(17)15-13/h1-3,5H,4,13H2,(H,15,17)
InChIKeyGQMOUOCHWGCJKS-UHFFFAOYSA-N
XLogP1.37
TPSA120.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 64854518
4-[(5-bromo-2-fluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 114677082
4-[(5-methoxy-2-nitrophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 102702537
4-[(5-fluoro-2-nitrophenoxy)methyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 9492660
4-(5-fluoro-2-nitrophenoxy)butanehydrazide
CID 55212419
4-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 102980015
4-[(4-ethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63574785
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-[(2,6-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 55213006
4-fluoro-2-[3-(5-fluoro-2-nitrophenoxy)propoxy]-1-nitrobenzene
CID 7533666
4-[(5-fluoro-2-nitrophenoxy)methyl]-1-methyltriazole
CID 103866197

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazole-2-carbohydrazide (CID 63575285) is 4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazole-2-carbohydrazide is NNC(=O)c1nc(COc2cc(F)ccc2[N+](=O)[O-])cs1.
What is the InChIKey of 4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is GQMOUOCHWGCJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O4S/c12-6-1-2-8(16(18)19)9(3-6)20-4-7-5-21-11(14-7)10(17)15-13/h1-3,5H,4,13H2,(H,15,17).
What are the key properties of 4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 312.28 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63575285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).