4-ethyl-N'-(2-fluorobenzoyl)thiadiazole-5-carbohydrazide

C12H11FN4O2S — CID 34977307

IUPAC4-ethyl-N'-(2-fluorobenzoyl)thiadiazole-5-carbohydrazide
SMILESCCc1nnsc1C(=O)NNC(=O)c1ccccc1F
InChIInChI=1S/C12H11FN4O2S/c1-2-9-10(20-17-14-9)12(19)16-15-11(18)7-5-3-4-6-8(7)13/h3-6H,2H2,1H3,(H,15,18)(H,16,19)
InChIKeyONVVBEPPHLPAAB-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.31
Rot. Bonds3

About 4-ethyl-N'-(2-fluorobenzoyl)thiadiazole-5-carbohydrazide

4-ethyl-N'-(2-fluorobenzoyl)thiadiazole-5-carbohydrazide (PubChem CID 34977307) has the molecular formula C12H11FN4O2S and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-ethyl-N'-(2-fluorobenzoyl)thiadiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-ethyl-N'-(2-fluorobenzoyl)thiadiazole-5-carbohydrazide
PubChem CID34977307
Molecular FormulaC12H11FN4O2S
Molecular Weight294.31 g/mol
Exact Mass294.06
IUPAC Name4-ethyl-N'-(2-fluorobenzoyl)thiadiazole-5-carbohydrazide
SMILESCCc1nnsc1C(=O)NNC(=O)c1ccccc1F
InChIInChI=1S/C12H11FN4O2S/c1-2-9-10(20-17-14-9)12(19)16-15-11(18)7-5-3-4-6-8(7)13/h3-6H,2H2,1H3,(H,15,18)(H,16,19)
InChIKeyONVVBEPPHLPAAB-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
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 4-ethyl-N'-(2-fluorobenzoyl)thiadiazole-5-carbohydrazide?
The IUPAC name of 4-ethyl-N'-(2-fluorobenzoyl)thiadiazole-5-carbohydrazide (CID 34977307) is 4-ethyl-N'-(2-fluorobenzoyl)thiadiazole-5-carbohydrazide.
What is the SMILES notation for 4-ethyl-N'-(2-fluorobenzoyl)thiadiazole-5-carbohydrazide?
The canonical SMILES for 4-ethyl-N'-(2-fluorobenzoyl)thiadiazole-5-carbohydrazide is CCc1nnsc1C(=O)NNC(=O)c1ccccc1F.
What is the InChIKey of 4-ethyl-N'-(2-fluorobenzoyl)thiadiazole-5-carbohydrazide?
The InChIKey is ONVVBEPPHLPAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O2S/c1-2-9-10(20-17-14-9)12(19)16-15-11(18)7-5-3-4-6-8(7)13/h3-6H,2H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 4-ethyl-N'-(2-fluorobenzoyl)thiadiazole-5-carbohydrazide?
4-ethyl-N'-(2-fluorobenzoyl)thiadiazole-5-carbohydrazide has a molecular weight of 294.31 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N'-(2-fluorobenzoyl)thiadiazole-5-carbohydrazide is sourced from PubChem (CID 34977307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).