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

C9H8ClF3N4S — CID 21326070

IUPAC[5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
SMILESCl.NNc1nnc(-c2ccccc2C(F)(F)F)s1
InChIInChI=1S/C9H7F3N4S.ClH/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);1H
InChIKeyHZODFNKGGIMZAM-UHFFFAOYSA-N
MW296.71 g/mol
LogP2.93
Rot. Bonds2

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

[5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride (PubChem CID 21326070) has the molecular formula C9H8ClF3N4S and a molecular weight of 296.71 g/mol. Its IUPAC name is [5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride.

Molecular Properties

Compound Name[5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
PubChem CID21326070
Molecular FormulaC9H8ClF3N4S
Molecular Weight296.71 g/mol
Exact Mass296.01
IUPAC Name[5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
SMILESCl.NNc1nnc(-c2ccccc2C(F)(F)F)s1
InChIInChI=1S/C9H7F3N4S.ClH/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);1H
InChIKeyHZODFNKGGIMZAM-UHFFFAOYSA-N
XLogP2.93
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 52.93
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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Frequently Asked Questions

What is the IUPAC name of [5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride?
The IUPAC name of [5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride (CID 21326070) is [5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride.
What is the SMILES notation for [5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride?
The canonical SMILES for [5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride is Cl.NNc1nnc(-c2ccccc2C(F)(F)F)s1.
What is the InChIKey of [5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride?
The InChIKey is HZODFNKGGIMZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4S.ClH/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);1H.
What are the key properties of [5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride?
[5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride has a molecular weight of 296.71 g/mol, XLogP of 2.93, 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;hydrochloride is sourced from PubChem (CID 21326070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).