4-bromo-N'-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzohydrazide

C11H9BrN4O2S2 — CID 2532085

IUPAC4-bromo-N'-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzohydrazide
SMILESO=C(CSc1nncs1)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H9BrN4O2S2/c12-8-3-1-7(2-4-8)10(18)15-14-9(17)5-19-11-16-13-6-20-11/h1-4,6H,5H2,(H,14,17)(H,15,18)
InChIKeyQDULNGZYIOOZMK-UHFFFAOYSA-N
MW373.26 g/mol
LogP1.85
Rot. Bonds4

About 4-bromo-N'-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzohydrazide

4-bromo-N'-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzohydrazide (PubChem CID 2532085) has the molecular formula C11H9BrN4O2S2 and a molecular weight of 373.26 g/mol. Its IUPAC name is 4-bromo-N'-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzohydrazide
PubChem CID2532085
Molecular FormulaC11H9BrN4O2S2
Molecular Weight373.26 g/mol
Exact Mass371.94
IUPAC Name4-bromo-N'-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzohydrazide
SMILESO=C(CSc1nncs1)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H9BrN4O2S2/c12-8-3-1-7(2-4-8)10(18)15-14-9(17)5-19-11-16-13-6-20-11/h1-4,6H,5H2,(H,14,17)(H,15,18)
InChIKeyQDULNGZYIOOZMK-UHFFFAOYSA-N
XLogP1.85
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.26
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzohydrazide?
The IUPAC name of 4-bromo-N'-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzohydrazide (CID 2532085) is 4-bromo-N'-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzohydrazide.
What is the SMILES notation for 4-bromo-N'-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzohydrazide?
The canonical SMILES for 4-bromo-N'-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzohydrazide is O=C(CSc1nncs1)NNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzohydrazide?
The InChIKey is QDULNGZYIOOZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O2S2/c12-8-3-1-7(2-4-8)10(18)15-14-9(17)5-19-11-16-13-6-20-11/h1-4,6H,5H2,(H,14,17)(H,15,18).
What are the key properties of 4-bromo-N'-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzohydrazide?
4-bromo-N'-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzohydrazide has a molecular weight of 373.26 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzohydrazide is sourced from PubChem (CID 2532085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).