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

C11H11FN4OS2 — CID 107459118

IUPAC4-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzohydrazide
SMILESCc1nnc(SCc2cc(C(=O)NN)ccc2F)s1
InChIInChI=1S/C11H11FN4OS2/c1-6-15-16-11(19-6)18-5-8-4-7(10(17)14-13)2-3-9(8)12/h2-4H,5,13H2,1H3,(H,14,17)
InChIKeyZDHZJIYEKLGJOE-UHFFFAOYSA-N
MW298.37 g/mol
LogP1.88
Rot. Bonds4

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

4-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzohydrazide (PubChem CID 107459118) has the molecular formula C11H11FN4OS2 and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzohydrazide
PubChem CID107459118
Molecular FormulaC11H11FN4OS2
Molecular Weight298.37 g/mol
Exact Mass298.04
IUPAC Name4-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzohydrazide
SMILESCc1nnc(SCc2cc(C(=O)NN)ccc2F)s1
InChIInChI=1S/C11H11FN4OS2/c1-6-15-16-11(19-6)18-5-8-4-7(10(17)14-13)2-3-9(8)12/h2-4H,5,13H2,1H3,(H,14,17)
InChIKeyZDHZJIYEKLGJOE-UHFFFAOYSA-N
XLogP1.88
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 51.88
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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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzohydrazide?
The IUPAC name of 4-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzohydrazide (CID 107459118) is 4-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzohydrazide?
The canonical SMILES for 4-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzohydrazide is Cc1nnc(SCc2cc(C(=O)NN)ccc2F)s1.
What is the InChIKey of 4-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzohydrazide?
The InChIKey is ZDHZJIYEKLGJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4OS2/c1-6-15-16-11(19-6)18-5-8-4-7(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-thiadiazol-2-yl)sulfanylmethyl]benzohydrazide?
4-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzohydrazide has a molecular weight of 298.37 g/mol, XLogP of 1.88, 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-thiadiazol-2-yl)sulfanylmethyl]benzohydrazide is sourced from PubChem (CID 107459118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).