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

C14H18ClFN4S — CID 105295283

IUPAC[1-(4-tert-butylthiadiazol-5-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine
SMILESCC(C)(C)c1nnsc1C(Cc1ccc(F)cc1Cl)NN
InChIInChI=1S/C14H18ClFN4S/c1-14(2,3)13-12(21-20-19-13)11(18-17)6-8-4-5-9(16)7-10(8)15/h4-5,7,11,18H,6,17H2,1-3H3
InChIKeyJRCRYMMRUJUXSY-UHFFFAOYSA-N
MW328.84 g/mol
LogP3.38
Rot. Bonds4

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

[1-(4-tert-butylthiadiazol-5-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine (PubChem CID 105295283) has the molecular formula C14H18ClFN4S and a molecular weight of 328.84 g/mol. Its IUPAC name is [1-(4-tert-butylthiadiazol-5-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-tert-butylthiadiazol-5-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine
PubChem CID105295283
Molecular FormulaC14H18ClFN4S
Molecular Weight328.84 g/mol
Exact Mass328.09
IUPAC Name[1-(4-tert-butylthiadiazol-5-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine
SMILESCC(C)(C)c1nnsc1C(Cc1ccc(F)cc1Cl)NN
InChIInChI=1S/C14H18ClFN4S/c1-14(2,3)13-12(21-20-19-13)11(18-17)6-8-4-5-9(16)7-10(8)15/h4-5,7,11,18H,6,17H2,1-3H3
InChIKeyJRCRYMMRUJUXSY-UHFFFAOYSA-N
XLogP3.38
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.38
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-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105340927
[1-(4-tert-butylthiadiazol-5-yl)-2-(3,4-dichlorophenyl)ethyl]hydrazine
CID 105296898
[1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethyl]hydrazine
CID 105342938
[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-(2,4-difluorophenyl)ethanamine
CID 105117237
[2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105295166
1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-dichlorophenyl)ethanol
CID 105086800
[1-(4-tert-butylthiadiazol-5-yl)-2-(3,5-dimethylphenyl)ethyl]hydrazine
CID 105287290
[1-(4-tert-butylthiadiazol-5-yl)-2-pyridin-3-ylethyl]hydrazine
CID 105333802
[2-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)ethyl]hydrazine
CID 105295206
[1-(4-ethylthiadiazol-5-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105340893

Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butylthiadiazol-5-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine?
The IUPAC name of [1-(4-tert-butylthiadiazol-5-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine (CID 105295283) is [1-(4-tert-butylthiadiazol-5-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(4-tert-butylthiadiazol-5-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine?
The canonical SMILES for [1-(4-tert-butylthiadiazol-5-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine is CC(C)(C)c1nnsc1C(Cc1ccc(F)cc1Cl)NN.
What is the InChIKey of [1-(4-tert-butylthiadiazol-5-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine?
The InChIKey is JRCRYMMRUJUXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN4S/c1-14(2,3)13-12(21-20-19-13)11(18-17)6-8-4-5-9(16)7-10(8)15/h4-5,7,11,18H,6,17H2,1-3H3.
What are the key properties of [1-(4-tert-butylthiadiazol-5-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine?
[1-(4-tert-butylthiadiazol-5-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine has a molecular weight of 328.84 g/mol, XLogP of 3.38, 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-chloro-4-fluorophenyl)ethyl]hydrazine is sourced from PubChem (CID 105295283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).