[2-(2-bromophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethyl]hydrazine

C14H19BrN4S — CID 105283999

IUPAC[2-(2-bromophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethyl]hydrazine
SMILESCC(C)(C)c1nnsc1C(Cc1ccccc1Br)NN
InChIInChI=1S/C14H19BrN4S/c1-14(2,3)13-12(20-19-18-13)11(17-16)8-9-6-4-5-7-10(9)15/h4-7,11,17H,8,16H2,1-3H3
InChIKeyYSMPCEZYEYXNGK-UHFFFAOYSA-N
MW355.31 g/mol
LogP3.35
Rot. Bonds4

About [2-(2-bromophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethyl]hydrazine

[2-(2-bromophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethyl]hydrazine (PubChem CID 105283999) has the molecular formula C14H19BrN4S and a molecular weight of 355.31 g/mol. Its IUPAC name is [2-(2-bromophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-bromophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethyl]hydrazine
PubChem CID105283999
Molecular FormulaC14H19BrN4S
Molecular Weight355.31 g/mol
Exact Mass354.05
IUPAC Name[2-(2-bromophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethyl]hydrazine
SMILESCC(C)(C)c1nnsc1C(Cc1ccccc1Br)NN
InChIInChI=1S/C14H19BrN4S/c1-14(2,3)13-12(20-19-18-13)11(17-16)8-9-6-4-5-7-10(9)15/h4-7,11,17H,8,16H2,1-3H3
InChIKeyYSMPCEZYEYXNGK-UHFFFAOYSA-N
XLogP3.35
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 53.35
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

[1-(4-tert-butylthiadiazol-5-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105295607
[1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethyl]hydrazine
CID 105342938
[1-(4-tert-butylthiadiazol-5-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105340927
[1-(4-tert-butylthiadiazol-5-yl)-2-(4-ethylphenyl)ethyl]hydrazine
CID 105287990
[1-(4-tert-butylthiadiazol-5-yl)-2-pyridin-3-ylethyl]hydrazine
CID 105333802
[1-(4-tert-butylthiadiazol-5-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine
CID 105295283
[1-(4-tert-butylthiadiazol-5-yl)-2-(3,5-dimethylphenyl)ethyl]hydrazine
CID 105287290
[1-(4-tert-butylthiadiazol-5-yl)-2-(3,4-dichlorophenyl)ethyl]hydrazine
CID 105296898
2-(2-bromo-3-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine
CID 105172170
[2-(2-bromophenyl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105214945
[2-(2-bromophenyl)-1-(3-ethylthiophen-2-yl)ethyl]hydrazine
CID 105283872
[2-(2-bromophenyl)-1-pyridin-4-ylethyl]hydrazine
CID 105196639

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-bromophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethyl]hydrazine (CID 105283999) is [2-(2-bromophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-bromophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-bromophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethyl]hydrazine is CC(C)(C)c1nnsc1C(Cc1ccccc1Br)NN.
What is the InChIKey of [2-(2-bromophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethyl]hydrazine?
The InChIKey is YSMPCEZYEYXNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4S/c1-14(2,3)13-12(20-19-18-13)11(17-16)8-9-6-4-5-7-10(9)15/h4-7,11,17H,8,16H2,1-3H3.
What are the key properties of [2-(2-bromophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethyl]hydrazine?
[2-(2-bromophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethyl]hydrazine has a molecular weight of 355.31 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethyl]hydrazine is sourced from PubChem (CID 105283999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).