4-methyl-N'-[2-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide

C11H9F3N4OS — CID 2811203

IUPAC4-methyl-N'-[2-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide
SMILESCc1nnsc1C(=O)NNc1ccccc1C(F)(F)F
InChIInChI=1S/C11H9F3N4OS/c1-6-9(20-18-15-6)10(19)17-16-8-5-3-2-4-7(8)11(12,13)14/h2-5,16H,1H3,(H,17,19)
InChIKeyAYMRVVVSVWRCNU-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.62
Rot. Bonds3

About 4-methyl-N'-[2-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide

4-methyl-N'-[2-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide (PubChem CID 2811203) has the molecular formula C11H9F3N4OS and a molecular weight of 302.28 g/mol. Its IUPAC name is 4-methyl-N'-[2-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-methyl-N'-[2-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide
PubChem CID2811203
Molecular FormulaC11H9F3N4OS
Molecular Weight302.28 g/mol
Exact Mass302.04
IUPAC Name4-methyl-N'-[2-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide
SMILESCc1nnsc1C(=O)NNc1ccccc1C(F)(F)F
InChIInChI=1S/C11H9F3N4OS/c1-6-9(20-18-15-6)10(19)17-16-8-5-3-2-4-7(8)11(12,13)14/h2-5,16H,1H3,(H,17,19)
InChIKeyAYMRVVVSVWRCNU-UHFFFAOYSA-N
XLogP2.62
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.62
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-methyl-N'-[2-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide?
The IUPAC name of 4-methyl-N'-[2-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide (CID 2811203) is 4-methyl-N'-[2-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide.
What is the SMILES notation for 4-methyl-N'-[2-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide?
The canonical SMILES for 4-methyl-N'-[2-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide is Cc1nnsc1C(=O)NNc1ccccc1C(F)(F)F.
What is the InChIKey of 4-methyl-N'-[2-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide?
The InChIKey is AYMRVVVSVWRCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4OS/c1-6-9(20-18-15-6)10(19)17-16-8-5-3-2-4-7(8)11(12,13)14/h2-5,16H,1H3,(H,17,19).
What are the key properties of 4-methyl-N'-[2-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide?
4-methyl-N'-[2-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide has a molecular weight of 302.28 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[2-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide is sourced from PubChem (CID 2811203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).