4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiadiazole-5-carbohydrazide

C12H9F3N4O2S — CID 2813446

IUPAC4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiadiazole-5-carbohydrazide
SMILESCc1nnsc1C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H9F3N4O2S/c1-6-9(22-19-16-6)11(21)18-17-10(20)7-2-4-8(5-3-7)12(13,14)15/h2-5H,1H3,(H,17,20)(H,18,21)
InChIKeyUOTZFTXUSCZMIO-UHFFFAOYSA-N
MW330.29 g/mol
LogP1.94
Rot. Bonds2

About 4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiadiazole-5-carbohydrazide

4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiadiazole-5-carbohydrazide (PubChem CID 2813446) has the molecular formula C12H9F3N4O2S and a molecular weight of 330.29 g/mol. Its IUPAC name is 4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiadiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiadiazole-5-carbohydrazide
PubChem CID2813446
Molecular FormulaC12H9F3N4O2S
Molecular Weight330.29 g/mol
Exact Mass330.04
IUPAC Name4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiadiazole-5-carbohydrazide
SMILESCc1nnsc1C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H9F3N4O2S/c1-6-9(22-19-16-6)11(21)18-17-10(20)7-2-4-8(5-3-7)12(13,14)15/h2-5H,1H3,(H,17,20)(H,18,21)
InChIKeyUOTZFTXUSCZMIO-UHFFFAOYSA-N
XLogP1.94
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 51.94
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'-(2-ethylphenyl)-4-methyl-1,2,3-thiadiazole-5-carbohydrazide
CID 2811990
N'-[4-(trifluoromethyl)benzoyl]thiadiazole-4-carbohydrazide
CID 45488360
4-Phenyl-1,2,3-thiadiazole-5-carbohydrazide
CID 2776856
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
N'-tert-butyl-4-methyl-N'-(2-methylbenzoyl)thiadiazole-5-carbohydrazide
CID 50940560
N'-tert-butyl-4-methyl-N'-(3-methylbenzoyl)thiadiazole-5-carbohydrazide
CID 50940561
N'-tert-butyl-4-methyl-N'-[2-(trifluoromethyl)benzoyl]thiadiazole-5-carbohydrazide
CID 50940734
N'-tert-butyl-4-methyl-N'-[3-(trifluoromethyl)benzoyl]thiadiazole-5-carbohydrazide
CID 50940735

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiadiazole-5-carbohydrazide?
The IUPAC name of 4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiadiazole-5-carbohydrazide (CID 2813446) is 4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiadiazole-5-carbohydrazide.
What is the SMILES notation for 4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiadiazole-5-carbohydrazide?
The canonical SMILES for 4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiadiazole-5-carbohydrazide is Cc1nnsc1C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiadiazole-5-carbohydrazide?
The InChIKey is UOTZFTXUSCZMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4O2S/c1-6-9(22-19-16-6)11(21)18-17-10(20)7-2-4-8(5-3-7)12(13,14)15/h2-5H,1H3,(H,17,20)(H,18,21).
What are the key properties of 4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiadiazole-5-carbohydrazide?
4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiadiazole-5-carbohydrazide has a molecular weight of 330.29 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiadiazole-5-carbohydrazide is sourced from PubChem (CID 2813446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).