4-[(5-fluoro-2-methylphenoxy)methyl]-5-methylthiophene-2-carbohydrazide

C14H15FN2O2S — CID 102987730

IUPAC4-[(5-fluoro-2-methylphenoxy)methyl]-5-methylthiophene-2-carbohydrazide
SMILESCc1ccc(F)cc1OCc1cc(C(=O)NN)sc1C
InChIInChI=1S/C14H15FN2O2S/c1-8-3-4-11(15)6-12(8)19-7-10-5-13(14(18)17-16)20-9(10)2/h3-6H,7,16H2,1-2H3,(H,17,18)
InChIKeyCLTXFHGYJFAKCC-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.69
Rot. Bonds4

About 4-[(5-fluoro-2-methylphenoxy)methyl]-5-methylthiophene-2-carbohydrazide

4-[(5-fluoro-2-methylphenoxy)methyl]-5-methylthiophene-2-carbohydrazide (PubChem CID 102987730) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[(5-fluoro-2-methylphenoxy)methyl]-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name4-[(5-fluoro-2-methylphenoxy)methyl]-5-methylthiophene-2-carbohydrazide
PubChem CID102987730
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name4-[(5-fluoro-2-methylphenoxy)methyl]-5-methylthiophene-2-carbohydrazide
SMILESCc1ccc(F)cc1OCc1cc(C(=O)NN)sc1C
InChIInChI=1S/C14H15FN2O2S/c1-8-3-4-11(15)6-12(8)19-7-10-5-13(14(18)17-16)20-9(10)2/h3-6H,7,16H2,1-2H3,(H,17,18)
InChIKeyCLTXFHGYJFAKCC-UHFFFAOYSA-N
XLogP2.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(2-fluorophenoxy)methyl]-5-methylthiophene-2-carbohydrazide
CID 80733698
4-[(2-cyanophenoxy)methyl]-5-methylthiophene-2-carbohydrazide
CID 80734004
5-methyl-4-(propan-2-yloxymethyl)thiophene-2-carbohydrazide
CID 80734538
5-[(5-fluoro-2-methylphenoxy)methyl]-2-methylfuran-3-carbohydrazide
CID 102987684
4-[(3-bromophenoxy)methyl]-5-methylthiophene-2-carbohydrazide
CID 80733439
4-[[4-(2-hydroxyethyl)phenoxy]methyl]-5-methylthiophene-2-carbohydrazide
CID 107710081
4-[(4-fluoro-N-methylanilino)methyl]-5-methylthiophene-2-carbohydrazide
CID 80734494
6-(5-fluoro-2-methylphenoxy)hexanehydrazide
CID 102987680
N-(5-fluoro-2-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 4828452
5-methyl-4-(oxetan-3-yloxymethyl)thiophene-2-carbohydrazide
CID 102608464
4-ethyl-N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide
CID 37363004
4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylthiophene-2-carbohydrazide
CID 80733862

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-methylphenoxy)methyl]-5-methylthiophene-2-carbohydrazide?
The IUPAC name of 4-[(5-fluoro-2-methylphenoxy)methyl]-5-methylthiophene-2-carbohydrazide (CID 102987730) is 4-[(5-fluoro-2-methylphenoxy)methyl]-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for 4-[(5-fluoro-2-methylphenoxy)methyl]-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for 4-[(5-fluoro-2-methylphenoxy)methyl]-5-methylthiophene-2-carbohydrazide is Cc1ccc(F)cc1OCc1cc(C(=O)NN)sc1C.
What is the InChIKey of 4-[(5-fluoro-2-methylphenoxy)methyl]-5-methylthiophene-2-carbohydrazide?
The InChIKey is CLTXFHGYJFAKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-8-3-4-11(15)6-12(8)19-7-10-5-13(14(18)17-16)20-9(10)2/h3-6H,7,16H2,1-2H3,(H,17,18).
What are the key properties of 4-[(5-fluoro-2-methylphenoxy)methyl]-5-methylthiophene-2-carbohydrazide?
4-[(5-fluoro-2-methylphenoxy)methyl]-5-methylthiophene-2-carbohydrazide has a molecular weight of 294.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-methylphenoxy)methyl]-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 102987730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).