[1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethyl]hydrazine

C12H11BrF3N3S — CID 105332123

IUPAC[1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethyl]hydrazine
SMILESNNC(Cc1cncs1)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C12H11BrF3N3S/c13-10-2-1-7(3-9(10)12(14,15)16)11(19-17)4-8-5-18-6-20-8/h1-3,5-6,11,19H,4,17H2
InChIKeyYPIAQAOXONHKFE-UHFFFAOYSA-N
MW366.21 g/mol
LogP3.67
Rot. Bonds4

About [1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethyl]hydrazine

[1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethyl]hydrazine (PubChem CID 105332123) has the molecular formula C12H11BrF3N3S and a molecular weight of 366.21 g/mol. Its IUPAC name is [1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethyl]hydrazine
PubChem CID105332123
Molecular FormulaC12H11BrF3N3S
Molecular Weight366.21 g/mol
Exact Mass364.98
IUPAC Name[1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethyl]hydrazine
SMILESNNC(Cc1cncs1)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C12H11BrF3N3S/c13-10-2-1-7(3-9(10)12(14,15)16)11(19-17)4-8-5-18-6-20-8/h1-3,5-6,11,19H,4,17H2
InChIKeyYPIAQAOXONHKFE-UHFFFAOYSA-N
XLogP3.67
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.21
LogP ≤ 53.67
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-[4-bromo-3-(trifluoromethyl)phenyl]-2-thiophen-3-ylethyl]hydrazine
CID 105297852
[1-(3-fluoro-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105201472
[1-(4-iodophenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105332133
2-(4-bromothiophen-2-yl)-1-[4-bromo-3-(trifluoromethyl)phenyl]-N-methylethanamine
CID 115847988
[1-(4-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105190796
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol
CID 112642086
[2-(1,3-thiazol-5-yl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine
CID 105208069
[1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105316604
N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 105030333
1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 112643573
2-(5-bromo-3-pyridinyl)-1-[4-bromo-3-(trifluoromethyl)phenyl]ethanol
CID 115833331
[1-pyrazin-2-yl-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105203291

Frequently Asked Questions

What is the IUPAC name of [1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethyl]hydrazine?
The IUPAC name of [1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethyl]hydrazine (CID 105332123) is [1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethyl]hydrazine.
What is the SMILES notation for [1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethyl]hydrazine?
The canonical SMILES for [1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethyl]hydrazine is NNC(Cc1cncs1)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of [1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethyl]hydrazine?
The InChIKey is YPIAQAOXONHKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF3N3S/c13-10-2-1-7(3-9(10)12(14,15)16)11(19-17)4-8-5-18-6-20-8/h1-3,5-6,11,19H,4,17H2.
What are the key properties of [1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethyl]hydrazine?
[1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethyl]hydrazine has a molecular weight of 366.21 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethyl]hydrazine is sourced from PubChem (CID 105332123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).