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

C12H12FN3O2S — CID 64854518

IUPAC4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
SMILESCc1ccc(F)c(OCc2csc(C(=O)NN)n2)c1
InChIInChI=1S/C12H12FN3O2S/c1-7-2-3-9(13)10(4-7)18-5-8-6-19-12(15-8)11(17)16-14/h2-4,6H,5,14H2,1H3,(H,16,17)
InChIKeyIJORCZFOBPPXOA-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.77
Rot. Bonds4

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

4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 64854518) has the molecular formula C12H12FN3O2S and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID64854518
Molecular FormulaC12H12FN3O2S
Molecular Weight281.31 g/mol
Exact Mass281.06
IUPAC Name4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
SMILESCc1ccc(F)c(OCc2csc(C(=O)NN)n2)c1
InChIInChI=1S/C12H12FN3O2S/c1-7-2-3-9(13)10(4-7)18-5-8-6-19-12(15-8)11(17)16-14/h2-4,6H,5,14H2,1H3,(H,16,17)
InChIKeyIJORCZFOBPPXOA-UHFFFAOYSA-N
XLogP1.77
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.77
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-fluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 114677082
4-[(5-bromo-2,3-difluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 107101923
4-[(4-acetyl-3-fluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 107718996
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-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63575285
4-[(3,5-dimethoxyphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63570853
4-[(2-chloro-4-cyanophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63575239
4-[(4-ethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63574785
4-[(2-amino-5-methylphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 79148538
4-[(4-bromophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 55215150
4-[(3-iodophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 55213802

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide (CID 64854518) is 4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide is Cc1ccc(F)c(OCc2csc(C(=O)NN)n2)c1.
What is the InChIKey of 4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is IJORCZFOBPPXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S/c1-7-2-3-9(13)10(4-7)18-5-8-6-19-12(15-8)11(17)16-14/h2-4,6H,5,14H2,1H3,(H,16,17).
What are the key properties of 4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 281.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 64854518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).