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

C13H13FN4O2S — CID 35797685

IUPAC4-ethyl-N'-[2-(4-fluorophenyl)acetyl]thiadiazole-5-carbohydrazide
SMILESCCc1nnsc1C(=O)NNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H13FN4O2S/c1-2-10-12(21-18-15-10)13(20)17-16-11(19)7-8-3-5-9(14)6-4-8/h3-6H,2,7H2,1H3,(H,16,19)(H,17,20)
InChIKeyXCBNTKYTEXAZHW-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.24
Rot. Bonds4

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

4-ethyl-N'-[2-(4-fluorophenyl)acetyl]thiadiazole-5-carbohydrazide (PubChem CID 35797685) has the molecular formula C13H13FN4O2S and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-ethyl-N'-[2-(4-fluorophenyl)acetyl]thiadiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-ethyl-N'-[2-(4-fluorophenyl)acetyl]thiadiazole-5-carbohydrazide
PubChem CID35797685
Molecular FormulaC13H13FN4O2S
Molecular Weight308.34 g/mol
Exact Mass308.07
IUPAC Name4-ethyl-N'-[2-(4-fluorophenyl)acetyl]thiadiazole-5-carbohydrazide
SMILESCCc1nnsc1C(=O)NNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H13FN4O2S/c1-2-10-12(21-18-15-10)13(20)17-16-11(19)7-8-3-5-9(14)6-4-8/h3-6H,2,7H2,1H3,(H,16,19)(H,17,20)
InChIKeyXCBNTKYTEXAZHW-UHFFFAOYSA-N
XLogP1.24
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.24
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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Related Compounds

N'-(4-isopropylphenyl)-4-methyl-1,2,3-thiadiazole-5-carbohydrazide
CID 2811458
N'-(2-ethylphenyl)-4-methyl-1,2,3-thiadiazole-5-carbohydrazide
CID 2811990
N'-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-4-(trifluoromethyl)benzohydrazide
CID 2813446
4-Phenyl-1,2,3-thiadiazole-5-carbohydrazide
CID 2776856
4-Phenylthiadiazole-5-carboxamide
CID 2804329
4-methyl-N'-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]benzenesulfonohydrazide
CID 1491449
N'-[4-(tert-butyl)phenyl]-4-methyl-1,2,3-thiadiazole-5-carbohydrazide
CID 2813088
4-methyl-N'-(1-naphthylcarbonyl)-1,2,3-thiadiazole-5-carbohydrazide
CID 2813434
N'-tert-butyl-4-methyl-N'-(4-methylbenzoyl)thiadiazole-5-carbohydrazide
CID 44608697
1,2,3-Thiadiazole-5-carboxylic acid, 4-methyl-, 2-(1,1-dimethylethyl)-2-[4-(trifluoromethyl)benzoyl]hydrazide
CID 44608700
N-tert-butyl-4-methyl-N'-(3-methylbenzoyl)thiadiazole-5-carbohydrazide
CID 44608864
N-tert-butyl-4-methyl-N'-[3-(trifluoromethyl)benzoyl]thiadiazole-5-carbohydrazide
CID 44608868

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N'-[2-(4-fluorophenyl)acetyl]thiadiazole-5-carbohydrazide?
The IUPAC name of 4-ethyl-N'-[2-(4-fluorophenyl)acetyl]thiadiazole-5-carbohydrazide (CID 35797685) is 4-ethyl-N'-[2-(4-fluorophenyl)acetyl]thiadiazole-5-carbohydrazide.
What is the SMILES notation for 4-ethyl-N'-[2-(4-fluorophenyl)acetyl]thiadiazole-5-carbohydrazide?
The canonical SMILES for 4-ethyl-N'-[2-(4-fluorophenyl)acetyl]thiadiazole-5-carbohydrazide is CCc1nnsc1C(=O)NNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 4-ethyl-N'-[2-(4-fluorophenyl)acetyl]thiadiazole-5-carbohydrazide?
The InChIKey is XCBNTKYTEXAZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O2S/c1-2-10-12(21-18-15-10)13(20)17-16-11(19)7-8-3-5-9(14)6-4-8/h3-6H,2,7H2,1H3,(H,16,19)(H,17,20).
What are the key properties of 4-ethyl-N'-[2-(4-fluorophenyl)acetyl]thiadiazole-5-carbohydrazide?
4-ethyl-N'-[2-(4-fluorophenyl)acetyl]thiadiazole-5-carbohydrazide has a molecular weight of 308.34 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N'-[2-(4-fluorophenyl)acetyl]thiadiazole-5-carbohydrazide is sourced from PubChem (CID 35797685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).