[(4-tert-butylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine

C16H24N4S — CID 105300446

IUPAC[(4-tert-butylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine
SMILESCC(C)c1nnsc1C(NN)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H24N4S/c1-10(2)13-15(21-20-19-13)14(18-17)11-6-8-12(9-7-11)16(3,4)5/h6-10,14,18H,17H2,1-5H3
InChIKeyITKFTXOEEPOGMD-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.51
Rot. Bonds4

About [(4-tert-butylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine

[(4-tert-butylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine (PubChem CID 105300446) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is [(4-tert-butylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-tert-butylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine
PubChem CID105300446
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name[(4-tert-butylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine
SMILESCC(C)c1nnsc1C(NN)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H24N4S/c1-10(2)13-15(21-20-19-13)14(18-17)11-6-8-12(9-7-11)16(3,4)5/h6-10,14,18H,17H2,1-5H3
InChIKeyITKFTXOEEPOGMD-UHFFFAOYSA-N
XLogP3.51
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.51
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

[(4-propan-2-ylthiadiazol-5-yl)-(4-propylphenyl)methyl]hydrazine
CID 105303905
N-methyl-1-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105144852
2-(4-tert-butylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105136160
[[3-(2-methylpropyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine
CID 105340754
[(2-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine
CID 105292443
[(4-tert-butylphenyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105300421
1-(4-tert-butylthiadiazol-5-yl)ethylhydrazine
CID 105282656
[(2,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine
CID 105305151
[(4-tert-butylphenyl)-pyrimidin-2-ylmethyl]hydrazine
CID 105203825
[(4-tert-butylthiadiazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105305034
N-[(4-chlorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine
CID 105076429
[(4-tert-butylphenyl)-(6-methoxypyridazin-3-yl)methyl]hydrazine
CID 103375681

Frequently Asked Questions

What is the IUPAC name of [(4-tert-butylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine?
The IUPAC name of [(4-tert-butylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine (CID 105300446) is [(4-tert-butylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [(4-tert-butylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine?
The canonical SMILES for [(4-tert-butylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine is CC(C)c1nnsc1C(NN)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of [(4-tert-butylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine?
The InChIKey is ITKFTXOEEPOGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-10(2)13-15(21-20-19-13)14(18-17)11-6-8-12(9-7-11)16(3,4)5/h6-10,14,18H,17H2,1-5H3.
What are the key properties of [(4-tert-butylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine?
[(4-tert-butylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine has a molecular weight of 304.46 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-tert-butylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105300446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).