4-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzohydrazide

C11H11FN4O2S — CID 107459054

IUPAC4-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzohydrazide
SMILESCc1nnc(SCc2cc(C(=O)NN)ccc2F)o1
InChIInChI=1S/C11H11FN4O2S/c1-6-15-16-11(18-6)19-5-8-4-7(10(17)14-13)2-3-9(8)12/h2-4H,5,13H2,1H3,(H,14,17)
InChIKeyYMPKNVJGYXPRNO-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.41
Rot. Bonds4

About 4-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzohydrazide

4-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzohydrazide (PubChem CID 107459054) has the molecular formula C11H11FN4O2S and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzohydrazide
PubChem CID107459054
Molecular FormulaC11H11FN4O2S
Molecular Weight282.30 g/mol
Exact Mass282.06
IUPAC Name4-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzohydrazide
SMILESCc1nnc(SCc2cc(C(=O)NN)ccc2F)o1
InChIInChI=1S/C11H11FN4O2S/c1-6-15-16-11(18-6)19-5-8-4-7(10(17)14-13)2-3-9(8)12/h2-4H,5,13H2,1H3,(H,14,17)
InChIKeyYMPKNVJGYXPRNO-UHFFFAOYSA-N
XLogP1.41
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-fluorobenzohydrazide
CID 107459124
5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide
CID 55212906
3-[(4-aminophenyl)sulfanylmethyl]-4-fluorobenzohydrazide
CID 107459173
3-[(2-amino-3-methylphenyl)sulfanylmethyl]-4-fluorobenzohydrazide
CID 107459216
4-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide
CID 107459185
5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63580407
1-[4-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]ethanone
CID 55021251
3-[(6-amino-3-pyridinyl)sulfanylmethyl]-4-fluorobenzohydrazide
CID 107459175
4-fluoro-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzohydrazide
CID 107459092
4-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzohydrazide
CID 107459218
4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoic acid
CID 8708398
methyl 2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoate
CID 103749395

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzohydrazide?
The IUPAC name of 4-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzohydrazide (CID 107459054) is 4-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzohydrazide?
The canonical SMILES for 4-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzohydrazide is Cc1nnc(SCc2cc(C(=O)NN)ccc2F)o1.
What is the InChIKey of 4-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzohydrazide?
The InChIKey is YMPKNVJGYXPRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2S/c1-6-15-16-11(18-6)19-5-8-4-7(10(17)14-13)2-3-9(8)12/h2-4H,5,13H2,1H3,(H,14,17).
What are the key properties of 4-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzohydrazide?
4-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzohydrazide has a molecular weight of 282.30 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzohydrazide is sourced from PubChem (CID 107459054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).