N'-(2-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide

C11H9FN4O2S — CID 9084732

IUPACN'-(2-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide
SMILESCc1nnsc1C(=O)NNC(=O)c1ccccc1F
InChIInChI=1S/C11H9FN4O2S/c1-6-9(19-16-13-6)11(18)15-14-10(17)7-4-2-3-5-8(7)12/h2-5H,1H3,(H,14,17)(H,15,18)
InChIKeyJMCOBEJBOXSQHP-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.06
Rot. Bonds2

About N'-(2-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide

N'-(2-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide (PubChem CID 9084732) has the molecular formula C11H9FN4O2S and a molecular weight of 280.28 g/mol. Its IUPAC name is N'-(2-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(2-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide
PubChem CID9084732
Molecular FormulaC11H9FN4O2S
Molecular Weight280.28 g/mol
Exact Mass280.04
IUPAC NameN'-(2-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide
SMILESCc1nnsc1C(=O)NNC(=O)c1ccccc1F
InChIInChI=1S/C11H9FN4O2S/c1-6-9(19-16-13-6)11(18)15-14-10(17)7-4-2-3-5-8(7)12/h2-5H,1H3,(H,14,17)(H,15,18)
InChIKeyJMCOBEJBOXSQHP-UHFFFAOYSA-N
XLogP1.06
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N'-(2-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide?
The IUPAC name of N'-(2-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide (CID 9084732) is N'-(2-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide.
What is the SMILES notation for N'-(2-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide?
The canonical SMILES for N'-(2-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide is Cc1nnsc1C(=O)NNC(=O)c1ccccc1F.
What is the InChIKey of N'-(2-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide?
The InChIKey is JMCOBEJBOXSQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O2S/c1-6-9(19-16-13-6)11(18)15-14-10(17)7-4-2-3-5-8(7)12/h2-5H,1H3,(H,14,17)(H,15,18).
What are the key properties of N'-(2-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide?
N'-(2-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide has a molecular weight of 280.28 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide is sourced from PubChem (CID 9084732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).