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

C9H7F3N4S — CID 14091198

IUPAC[5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESNNc1nnc(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C9H7F3N4S/c10-9(11,12)6-3-1-2-5(4-6)7-15-16-8(14-13)17-7/h1-4H,13H2,(H,14,16)
InChIKeyQYZVSPPKBICHEN-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.51
Rot. Bonds2

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

[5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine (PubChem CID 14091198) has the molecular formula C9H7F3N4S and a molecular weight of 260.24 g/mol. Its IUPAC name is [5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine
PubChem CID14091198
Molecular FormulaC9H7F3N4S
Molecular Weight260.24 g/mol
Exact Mass260.03
IUPAC Name[5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESNNc1nnc(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C9H7F3N4S/c10-9(11,12)6-3-1-2-5(4-6)7-15-16-8(14-13)17-7/h1-4H,13H2,(H,14,16)
InChIKeyQYZVSPPKBICHEN-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

[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine
CID 14091195
[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
CID 45263058
[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
CID 45265519
[5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 14091197
[3-[5-(3,4-dichloroanilino)-1,3,4-thiadiazol-2-yl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 91012923
N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 25011866
5-[3-(trifluoromethyl)phenyl]pyridazin-4-amine
CID 117127400
6-[3-(trifluoromethyl)phenyl]-1,2,4,5-tetrazin-3-amine
CID 12535593
methyl 4-[[5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]methyl]benzoate
CID 66939699
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)benzamide
CID 4111551
5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole
CID 113415724
N-[2-[4-(aminomethyl)phenyl]-1-[5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide;hydrochloride
CID 138586634

Frequently Asked Questions

What is the IUPAC name of [5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The IUPAC name of [5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine (CID 14091198) is [5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The canonical SMILES for [5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine is NNc1nnc(-c2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of [5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The InChIKey is QYZVSPPKBICHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4S/c10-9(11,12)6-3-1-2-5(4-6)7-15-16-8(14-13)17-7/h1-4H,13H2,(H,14,16).
What are the key properties of [5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine?
[5-[3-(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-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine is sourced from PubChem (CID 14091198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).