[5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine

C9H7F3N4S — CID 14091197

IUPAC[5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESNNc1nnc(-c2ccccc2C(F)(F)F)s1
InChIInChI=1S/C9H7F3N4S/c10-9(11,12)6-4-2-1-3-5(6)7-15-16-8(14-13)17-7/h1-4H,13H2,(H,14,16)
InChIKeyLUPXFYQPUJRZPH-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.51
Rot. Bonds2

About [5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine

[5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine (PubChem CID 14091197) has the molecular formula C9H7F3N4S and a molecular weight of 260.24 g/mol. Its IUPAC name is [5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine
PubChem CID14091197
Molecular FormulaC9H7F3N4S
Molecular Weight260.24 g/mol
Exact Mass260.03
IUPAC Name[5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESNNc1nnc(-c2ccccc2C(F)(F)F)s1
InChIInChI=1S/C9H7F3N4S/c10-9(11,12)6-4-2-1-3-5(6)7-15-16-8(14-13)17-7/h1-4H,13H2,(H,14,16)
InChIKeyLUPXFYQPUJRZPH-UHFFFAOYSA-N
XLogP2.51
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]hydrazine
CID 62041944
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 1214783
[3-[2-(trifluoromethyl)phenyl]pyrazin-2-yl]hydrazine
CID 112559499
5-ethynyl-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole
CID 169493431
4-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 66836122
5-[2-(trifluoromethyl)phenyl]thiophen-2-amine
CID 66521266
1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-amine
CID 115091866
[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
CID 45263058
[3-[2-(trifluoromethyl)phenyl]phenyl]hydrazine;hydrochloride
CID 171157644
3-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 69026601
1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene
CID 91059190

Frequently Asked Questions

What is the IUPAC name of [5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The IUPAC name of [5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine (CID 14091197) is [5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The canonical SMILES for [5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine is NNc1nnc(-c2ccccc2C(F)(F)F)s1.
What is the InChIKey of [5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The InChIKey is LUPXFYQPUJRZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4S/c10-9(11,12)6-4-2-1-3-5(6)7-15-16-8(14-13)17-7/h1-4H,13H2,(H,14,16).
What are the key properties of [5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine?
[5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine has a molecular weight of 260.24 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine is sourced from PubChem (CID 14091197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).