[4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)butyl]hydrazine

C8H12F3N3S — CID 105313908

IUPAC[4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)butyl]hydrazine
SMILESCc1nc(C(CCC(F)(F)F)NN)cs1
InChIInChI=1S/C8H12F3N3S/c1-5-13-7(4-15-5)6(14-12)2-3-8(9,10)11/h4,6,14H,2-3,12H2,1H3
InChIKeyNZYQVASUWKHLQQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.30
Rot. Bonds4

About [4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)butyl]hydrazine

[4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)butyl]hydrazine (PubChem CID 105313908) has the molecular formula C8H12F3N3S and a molecular weight of 239.27 g/mol. Its IUPAC name is [4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)butyl]hydrazine.

Molecular Properties

Compound Name[4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)butyl]hydrazine
PubChem CID105313908
Molecular FormulaC8H12F3N3S
Molecular Weight239.27 g/mol
Exact Mass239.07
IUPAC Name[4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)butyl]hydrazine
SMILESCc1nc(C(CCC(F)(F)F)NN)cs1
InChIInChI=1S/C8H12F3N3S/c1-5-13-7(4-15-5)6(14-12)2-3-8(9,10)11/h4,6,14H,2-3,12H2,1H3
InChIKeyNZYQVASUWKHLQQ-UHFFFAOYSA-N
XLogP2.30
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-methyl-1,3-thiazol-4-yl)oct-7-enylhydrazine
CID 107012859
[4,4,4-trifluoro-1-(1,3-thiazol-4-yl)butyl]hydrazine
CID 105254263
3,3,3-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 112693223
[2-(5-chloro-2-fluorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 103053824
[2-(4-chloro-2-fluorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105342726
[2-(furan-3-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105331808
[2-(1-methylpyrazol-4-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105291161
[1,1,1-trifluoro-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine
CID 105215784
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine
CID 105125168
(1R)-2-amino-1-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 28819519
[4,4,4-trifluoro-1-(2,4,6-trimethylphenyl)butyl]hydrazine
CID 105313895
5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ol
CID 64565731

Frequently Asked Questions

What is the IUPAC name of [4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)butyl]hydrazine?
The IUPAC name of [4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)butyl]hydrazine (CID 105313908) is [4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)butyl]hydrazine.
What is the SMILES notation for [4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)butyl]hydrazine?
The canonical SMILES for [4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)butyl]hydrazine is Cc1nc(C(CCC(F)(F)F)NN)cs1.
What is the InChIKey of [4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)butyl]hydrazine?
The InChIKey is NZYQVASUWKHLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3S/c1-5-13-7(4-15-5)6(14-12)2-3-8(9,10)11/h4,6,14H,2-3,12H2,1H3.
What are the key properties of [4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)butyl]hydrazine?
[4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)butyl]hydrazine has a molecular weight of 239.27 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)butyl]hydrazine is sourced from PubChem (CID 105313908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).