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

C10H9F3N4S — CID 105301323

IUPAC[1,2,5-thiadiazol-3-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESNNC(c1cccc(C(F)(F)F)c1)c1cnsn1
InChIInChI=1S/C10H9F3N4S/c11-10(12,13)7-3-1-2-6(4-7)9(16-14)8-5-15-18-17-8/h1-5,9,16H,14H2
InChIKeyABXPCTSIGLYZFV-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.11
Rot. Bonds3

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

[1,2,5-thiadiazol-3-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine (PubChem CID 105301323) has the molecular formula C10H9F3N4S and a molecular weight of 274.27 g/mol. Its IUPAC name is [1,2,5-thiadiazol-3-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine.

Molecular Properties

Compound Name[1,2,5-thiadiazol-3-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
PubChem CID105301323
Molecular FormulaC10H9F3N4S
Molecular Weight274.27 g/mol
Exact Mass274.05
IUPAC Name[1,2,5-thiadiazol-3-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESNNC(c1cccc(C(F)(F)F)c1)c1cnsn1
InChIInChI=1S/C10H9F3N4S/c11-10(12,13)7-3-1-2-6(4-7)9(16-14)8-5-15-18-17-8/h1-5,9,16H,14H2
InChIKeyABXPCTSIGLYZFV-UHFFFAOYSA-N
XLogP2.11
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.11
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

N-[1,2,5-thiadiazol-3-yl-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 105141468
[[2-methyl-4-(trifluoromethyl)phenyl]-(1,2,5-thiadiazol-3-yl)methyl]hydrazine
CID 102760069
[(5-methylpyrazin-2-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105301358
[(5-bromo-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105267889
[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105192836
[(1,5-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105301348
N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 102757503
[(3,4-dimethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]hydrazine
CID 105301107
[(4-ethylphenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193954
[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 53402398
[(2-bromo-3-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105301331
[(2,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105301356

Frequently Asked Questions

What is the IUPAC name of [1,2,5-thiadiazol-3-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine?
The IUPAC name of [1,2,5-thiadiazol-3-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine (CID 105301323) is [1,2,5-thiadiazol-3-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine.
What is the SMILES notation for [1,2,5-thiadiazol-3-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine?
The canonical SMILES for [1,2,5-thiadiazol-3-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine is NNC(c1cccc(C(F)(F)F)c1)c1cnsn1.
What is the InChIKey of [1,2,5-thiadiazol-3-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine?
The InChIKey is ABXPCTSIGLYZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4S/c11-10(12,13)7-3-1-2-6(4-7)9(16-14)8-5-15-18-17-8/h1-5,9,16H,14H2.
What are the key properties of [1,2,5-thiadiazol-3-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine?
[1,2,5-thiadiazol-3-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine has a molecular weight of 274.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,5-thiadiazol-3-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine is sourced from PubChem (CID 105301323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).