N'-[2-(4-fluorophenyl)acetyl]-4-methylthiadiazole-5-carbohydrazide

C12H11FN4O2S — CID 9091934

IUPACN'-[2-(4-fluorophenyl)acetyl]-4-methylthiadiazole-5-carbohydrazide
SMILESCc1nnsc1C(=O)NNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H11FN4O2S/c1-7-11(20-17-14-7)12(19)16-15-10(18)6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,15,18)(H,16,19)
InChIKeyBAKRTUJHLSSYOP-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.99
Rot. Bonds3

About N'-[2-(4-fluorophenyl)acetyl]-4-methylthiadiazole-5-carbohydrazide

N'-[2-(4-fluorophenyl)acetyl]-4-methylthiadiazole-5-carbohydrazide (PubChem CID 9091934) has the molecular formula C12H11FN4O2S and a molecular weight of 294.31 g/mol. Its IUPAC name is N'-[2-(4-fluorophenyl)acetyl]-4-methylthiadiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenyl)acetyl]-4-methylthiadiazole-5-carbohydrazide
PubChem CID9091934
Molecular FormulaC12H11FN4O2S
Molecular Weight294.31 g/mol
Exact Mass294.06
IUPAC NameN'-[2-(4-fluorophenyl)acetyl]-4-methylthiadiazole-5-carbohydrazide
SMILESCc1nnsc1C(=O)NNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H11FN4O2S/c1-7-11(20-17-14-7)12(19)16-15-10(18)6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,15,18)(H,16,19)
InChIKeyBAKRTUJHLSSYOP-UHFFFAOYSA-N
XLogP0.99
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.99
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-(4-fluorophenyl)acetyl]-4-methylthiadiazole-5-carbohydrazide?
The IUPAC name of N'-[2-(4-fluorophenyl)acetyl]-4-methylthiadiazole-5-carbohydrazide (CID 9091934) is N'-[2-(4-fluorophenyl)acetyl]-4-methylthiadiazole-5-carbohydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenyl)acetyl]-4-methylthiadiazole-5-carbohydrazide?
The canonical SMILES for N'-[2-(4-fluorophenyl)acetyl]-4-methylthiadiazole-5-carbohydrazide is Cc1nnsc1C(=O)NNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N'-[2-(4-fluorophenyl)acetyl]-4-methylthiadiazole-5-carbohydrazide?
The InChIKey is BAKRTUJHLSSYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O2S/c1-7-11(20-17-14-7)12(19)16-15-10(18)6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N'-[2-(4-fluorophenyl)acetyl]-4-methylthiadiazole-5-carbohydrazide?
N'-[2-(4-fluorophenyl)acetyl]-4-methylthiadiazole-5-carbohydrazide has a molecular weight of 294.31 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenyl)acetyl]-4-methylthiadiazole-5-carbohydrazide is sourced from PubChem (CID 9091934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).