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

C11H11F3N4S — CID 102760069

IUPAC[[2-methyl-4-(trifluoromethyl)phenyl]-(1,2,5-thiadiazol-3-yl)methyl]hydrazine
SMILESCc1cc(C(F)(F)F)ccc1C(NN)c1cnsn1
InChIInChI=1S/C11H11F3N4S/c1-6-4-7(11(12,13)14)2-3-8(6)10(17-15)9-5-16-19-18-9/h2-5,10,17H,15H2,1H3
InChIKeyXWFSGDPLIYZACZ-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.42
Rot. Bonds3

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

[[2-methyl-4-(trifluoromethyl)phenyl]-(1,2,5-thiadiazol-3-yl)methyl]hydrazine (PubChem CID 102760069) has the molecular formula C11H11F3N4S and a molecular weight of 288.30 g/mol. Its IUPAC name is [[2-methyl-4-(trifluoromethyl)phenyl]-(1,2,5-thiadiazol-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[[2-methyl-4-(trifluoromethyl)phenyl]-(1,2,5-thiadiazol-3-yl)methyl]hydrazine
PubChem CID102760069
Molecular FormulaC11H11F3N4S
Molecular Weight288.30 g/mol
Exact Mass288.07
IUPAC Name[[2-methyl-4-(trifluoromethyl)phenyl]-(1,2,5-thiadiazol-3-yl)methyl]hydrazine
SMILESCc1cc(C(F)(F)F)ccc1C(NN)c1cnsn1
InChIInChI=1S/C11H11F3N4S/c1-6-4-7(11(12,13)14)2-3-8(6)10(17-15)9-5-16-19-18-9/h2-5,10,17H,15H2,1H3
InChIKeyXWFSGDPLIYZACZ-UHFFFAOYSA-N
XLogP2.42
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.42
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-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 102757503
[1,2,5-thiadiazol-3-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105301323
[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]hydrazine
CID 102759414
[[2-methyl-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]hydrazine
CID 102759413
[(5-fluoro-3-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 102759931
[(5-bromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 102759536
[(2-bromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 102759477
[(2,5-dimethylfuran-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 102759916
[(2,5-dichlorophenyl)-(1,2,5-thiadiazol-3-yl)methyl]hydrazine
CID 105301984
2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 103517278
N-[1,2,5-thiadiazol-3-yl-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 105141468
[(5-fluoro-2-methylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 105302169

Frequently Asked Questions

What is the IUPAC name of [[2-methyl-4-(trifluoromethyl)phenyl]-(1,2,5-thiadiazol-3-yl)methyl]hydrazine?
The IUPAC name of [[2-methyl-4-(trifluoromethyl)phenyl]-(1,2,5-thiadiazol-3-yl)methyl]hydrazine (CID 102760069) is [[2-methyl-4-(trifluoromethyl)phenyl]-(1,2,5-thiadiazol-3-yl)methyl]hydrazine.
What is the SMILES notation for [[2-methyl-4-(trifluoromethyl)phenyl]-(1,2,5-thiadiazol-3-yl)methyl]hydrazine?
The canonical SMILES for [[2-methyl-4-(trifluoromethyl)phenyl]-(1,2,5-thiadiazol-3-yl)methyl]hydrazine is Cc1cc(C(F)(F)F)ccc1C(NN)c1cnsn1.
What is the InChIKey of [[2-methyl-4-(trifluoromethyl)phenyl]-(1,2,5-thiadiazol-3-yl)methyl]hydrazine?
The InChIKey is XWFSGDPLIYZACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4S/c1-6-4-7(11(12,13)14)2-3-8(6)10(17-15)9-5-16-19-18-9/h2-5,10,17H,15H2,1H3.
What are the key properties of [[2-methyl-4-(trifluoromethyl)phenyl]-(1,2,5-thiadiazol-3-yl)methyl]hydrazine?
[[2-methyl-4-(trifluoromethyl)phenyl]-(1,2,5-thiadiazol-3-yl)methyl]hydrazine has a molecular weight of 288.30 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-methyl-4-(trifluoromethyl)phenyl]-(1,2,5-thiadiazol-3-yl)methyl]hydrazine is sourced from PubChem (CID 102760069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).