[1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethyl]hydrazine

C12H11F4N3S — CID 105250390

IUPAC[1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethyl]hydrazine
SMILESNNC(Cc1nccs1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C12H11F4N3S/c13-11-7(2-1-3-8(11)12(14,15)16)9(19-17)6-10-18-4-5-20-10/h1-5,9,19H,6,17H2
InChIKeyCPRQQSXKQPZLMJ-UHFFFAOYSA-N
MW305.30 g/mol
LogP3.05
Rot. Bonds4

About [1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethyl]hydrazine

[1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethyl]hydrazine (PubChem CID 105250390) has the molecular formula C12H11F4N3S and a molecular weight of 305.30 g/mol. Its IUPAC name is [1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethyl]hydrazine
PubChem CID105250390
Molecular FormulaC12H11F4N3S
Molecular Weight305.30 g/mol
Exact Mass305.06
IUPAC Name[1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethyl]hydrazine
SMILESNNC(Cc1nccs1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C12H11F4N3S/c13-11-7(2-1-3-8(11)12(14,15)16)9(19-17)6-10-18-4-5-20-10/h1-5,9,19H,6,17H2
InChIKeyCPRQQSXKQPZLMJ-UHFFFAOYSA-N
XLogP3.05
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 53.05
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-chloro-3-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105324603
[1-(2-chloro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105324660
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105015235
[1-(5-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105280199
[2-cyclobutyl-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105250370
1-[2-fluoro-3-(trifluoromethyl)phenyl]octylhydrazine
CID 105250334
[1-(3-ethylthiophen-2-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105324523
[2-(1-ethylimidazol-2-yl)-1-[2-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105321898
[1-(2-methylpyrimidin-4-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105260601
[[2-fluoro-3-(trifluoromethyl)phenyl]-pyrazin-2-ylmethyl]hydrazine
CID 105250401
[1-(4-fluoro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105204168
1-(2-bromo-3-fluorophenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105014897

Frequently Asked Questions

What is the IUPAC name of [1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethyl]hydrazine?
The IUPAC name of [1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethyl]hydrazine (CID 105250390) is [1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethyl]hydrazine.
What is the SMILES notation for [1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethyl]hydrazine?
The canonical SMILES for [1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethyl]hydrazine is NNC(Cc1nccs1)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of [1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethyl]hydrazine?
The InChIKey is CPRQQSXKQPZLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4N3S/c13-11-7(2-1-3-8(11)12(14,15)16)9(19-17)6-10-18-4-5-20-10/h1-5,9,19H,6,17H2.
What are the key properties of [1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethyl]hydrazine?
[1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethyl]hydrazine has a molecular weight of 305.30 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105250390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).