[1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethyl]hydrazine

C14H18F2N4S — CID 105342938

IUPAC[1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethyl]hydrazine
SMILESCC(C)(C)c1nnsc1C(Cc1c(F)cccc1F)NN
InChIInChI=1S/C14H18F2N4S/c1-14(2,3)13-12(21-20-19-13)11(18-17)7-8-9(15)5-4-6-10(8)16/h4-6,11,18H,7,17H2,1-3H3
InChIKeyIEHCLXYLJRHVLC-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.86
Rot. Bonds4

About [1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethyl]hydrazine

[1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethyl]hydrazine (PubChem CID 105342938) has the molecular formula C14H18F2N4S and a molecular weight of 312.39 g/mol. Its IUPAC name is [1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethyl]hydrazine
PubChem CID105342938
Molecular FormulaC14H18F2N4S
Molecular Weight312.39 g/mol
Exact Mass312.12
IUPAC Name[1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethyl]hydrazine
SMILESCC(C)(C)c1nnsc1C(Cc1c(F)cccc1F)NN
InChIInChI=1S/C14H18F2N4S/c1-14(2,3)13-12(21-20-19-13)11(18-17)7-8-9(15)5-4-6-10(8)16/h4-6,11,18H,7,17H2,1-3H3
InChIKeyIEHCLXYLJRHVLC-UHFFFAOYSA-N
XLogP2.86
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.86
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-(2,6-difluorophenyl)ethanamine
CID 105190570
[2-(2,6-difluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]hydrazine
CID 105342906
[1-(4-tert-butylthiadiazol-5-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105295607
[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
[2-(2-bromophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethyl]hydrazine
CID 105283999
[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
[1-(4-tert-butylthiadiazol-5-yl)-4-methylpentyl]hydrazine
CID 105294316

Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethyl]hydrazine?
The IUPAC name of [1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethyl]hydrazine (CID 105342938) is [1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethyl]hydrazine?
The canonical SMILES for [1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethyl]hydrazine is CC(C)(C)c1nnsc1C(Cc1c(F)cccc1F)NN.
What is the InChIKey of [1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethyl]hydrazine?
The InChIKey is IEHCLXYLJRHVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4S/c1-14(2,3)13-12(21-20-19-13)11(18-17)7-8-9(15)5-4-6-10(8)16/h4-6,11,18H,7,17H2,1-3H3.
What are the key properties of [1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethyl]hydrazine?
[1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethyl]hydrazine has a molecular weight of 312.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethyl]hydrazine is sourced from PubChem (CID 105342938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).