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

C13H16N4S — CID 105338136

IUPAC[(4-cyclobutylphenyl)-(1,2,5-thiadiazol-3-yl)methyl]hydrazine
SMILESNNC(c1ccc(C2CCC2)cc1)c1cnsn1
InChIInChI=1S/C13H16N4S/c14-16-13(12-8-15-18-17-12)11-6-4-10(5-7-11)9-2-1-3-9/h4-9,13,16H,1-3,14H2
InChIKeyDQPCDZQLTXODLO-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.36
Rot. Bonds4

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

[(4-cyclobutylphenyl)-(1,2,5-thiadiazol-3-yl)methyl]hydrazine (PubChem CID 105338136) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is [(4-cyclobutylphenyl)-(1,2,5-thiadiazol-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-cyclobutylphenyl)-(1,2,5-thiadiazol-3-yl)methyl]hydrazine
PubChem CID105338136
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name[(4-cyclobutylphenyl)-(1,2,5-thiadiazol-3-yl)methyl]hydrazine
SMILESNNC(c1ccc(C2CCC2)cc1)c1cnsn1
InChIInChI=1S/C13H16N4S/c14-16-13(12-8-15-18-17-12)11-6-4-10(5-7-11)9-2-1-3-9/h4-9,13,16H,1-3,14H2
InChIKeyDQPCDZQLTXODLO-UHFFFAOYSA-N
XLogP2.36
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.36
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

[(4-cyclobutylphenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105338213
[(4-cyclobutylphenyl)-(3,5-dichlorophenyl)methyl]hydrazine
CID 105338167
[(4-cyclobutylphenyl)-(2,6-difluorophenyl)methyl]hydrazine
CID 105246723
[(4-cyclobutylphenyl)-(5-iodothiophen-3-yl)methyl]hydrazine
CID 105338208
[(4-cyclobutylphenyl)-(3-ethyl-4-pyridinyl)methyl]hydrazine
CID 105262266
[(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methyl]hydrazine
CID 105257937
[(4-cyclobutylphenyl)-(3-ethylthiophen-2-yl)methyl]hydrazine
CID 105338117
[(3,4-dimethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]hydrazine
CID 105301107
[(4-cyclobutylphenyl)-(2-ethylphenyl)methyl]hydrazine
CID 105338218
[(2-bromo-6-fluorophenyl)-(4-cyclobutylphenyl)methyl]hydrazine
CID 105280506
[(2,3-dichlorophenyl)-(1,2,5-thiadiazol-3-yl)methyl]hydrazine
CID 105301642
[(2,5-dichlorophenyl)-(1,2,5-thiadiazol-3-yl)methyl]hydrazine
CID 105301984

Frequently Asked Questions

What is the IUPAC name of [(4-cyclobutylphenyl)-(1,2,5-thiadiazol-3-yl)methyl]hydrazine?
The IUPAC name of [(4-cyclobutylphenyl)-(1,2,5-thiadiazol-3-yl)methyl]hydrazine (CID 105338136) is [(4-cyclobutylphenyl)-(1,2,5-thiadiazol-3-yl)methyl]hydrazine.
What is the SMILES notation for [(4-cyclobutylphenyl)-(1,2,5-thiadiazol-3-yl)methyl]hydrazine?
The canonical SMILES for [(4-cyclobutylphenyl)-(1,2,5-thiadiazol-3-yl)methyl]hydrazine is NNC(c1ccc(C2CCC2)cc1)c1cnsn1.
What is the InChIKey of [(4-cyclobutylphenyl)-(1,2,5-thiadiazol-3-yl)methyl]hydrazine?
The InChIKey is DQPCDZQLTXODLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c14-16-13(12-8-15-18-17-12)11-6-4-10(5-7-11)9-2-1-3-9/h4-9,13,16H,1-3,14H2.
What are the key properties of [(4-cyclobutylphenyl)-(1,2,5-thiadiazol-3-yl)methyl]hydrazine?
[(4-cyclobutylphenyl)-(1,2,5-thiadiazol-3-yl)methyl]hydrazine has a molecular weight of 260.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-cyclobutylphenyl)-(1,2,5-thiadiazol-3-yl)methyl]hydrazine is sourced from PubChem (CID 105338136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).